CID 541499

24569-83-3

Structural Information

Molecular Formula

C₄H₁₀NO₅P

SMILES

CN(CC(=O)O)CP(=O)(O)O

InChI

InChI=1S/C4H10NO5P/c1-5(2-4(6)7)3-11(8,9)10/h2-3H2,1H3,(H,6,7)(H2,8,9,10)

InChIKey

SGVDYFNFBJGOHB-UHFFFAOYSA-N

Compound name

2-[methyl(phosphonomethyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1277
Patents: 183.02966 Da
Monoisotopic Mass: -4.2
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]+	184.03694	137.3
[M+Na]+	206.01888	143.3
[M-H]-	182.02238	133.9
[M+NH4]+	201.06348	155.7
[M+K]+	221.99282	144.1
[M+H-H2O]+	166.02692	130.7
[M+HCOO]-	228.02786	162.8
[M+CH3COO]-	242.04351	178.2
[M+Na-2H]-	204.00433	139.5
[M]+	183.02911	138.7
[M]-	183.03021	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe