CID 13042003

Schembl527443

Structural Information

Molecular Formula

SMILES

CN(CC(=O)O)P(=O)(O)O

InChI

InChI=1S/C3H8NO5P/c1-4(2-3(5)6)10(7,8)9/h2H2,1H3,(H,5,6)(H2,7,8,9)

InChIKey

QJICNAUCGTWDHE-UHFFFAOYSA-N

Compound name

2-[methyl(phosphono)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 214
Patents: 169.014 Da
Monoisotopic Mass: -1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	170.021276	132.5
[M+Na]+	192.003218	139.0
[M-H]-	168.006724	129.4
[M+NH4]+	187.047823	151.5
[M+K]+	207.977158	140.0
[M+H-H2O]+	152.011260	126.1
[M+HCOO]-	214.012201	158.3
[M+CH3COO]-	228.027851	175.2
[M+Na-2H]-	189.988666	135.3
[M]+	169.01345142	133.5
[M]-	169.01454858	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe