Metabolite ammonium

Name
ammonium
Description
Not Available
Structure
Synonyms
Not Available
UNII
54S68520I4
CAS number
Not Available
Weight
Average: 18.0385
Monoisotopic: 18.034374133
Chemical Formula
H4N
InChI Key
QGZKDVFQNNGYKY-UHFFFAOYSA-O
InChI
InChI=1S/H3N/h1H3/p+1
IUPAC Name
azanium
SMILES
[NH4+]
Reactions
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-108.34302
predicted
DeepCCS 1.0 (2019)
[M+H]+110.074554
predicted
DeepCCS 1.0 (2019)
[M+Na]+116.87614
predicted
DeepCCS 1.0 (2019)
Human Metabolome Database
HMDB0041827
KEGG Compound
C01342
ChemSpider
218
ChEBI
28938
PDBe Ligand
NH4
Wikipedia
Ammonium
Predicted Properties
PropertyValueSource
logP-0.98Chemaxon
pKa (Strongest Basic)8.86Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count0Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area0 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity16.31 m3·mol-1Chemaxon
Polarizability2.38 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon