CID 16786632

2-[(methylcarbamoyl)amino]acetic acid

Structural Information

Molecular Formula

C₄H₈N₂O₃

SMILES

CNC(=O)NCC(=O)O

InChI

InChI=1S/C4H8N2O3/c1-5-4(9)6-2-3(7)8/h2H2,1H3,(H,7,8)(H2,5,6,9)

InChIKey

JBGKTLCSARFDPE-UHFFFAOYSA-N

Compound name

2-(methylcarbamoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 132.0535 Da
Monoisotopic Mass: -1.0
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]+	133.06078	126.2
[M+Na]+	155.04272	133.0
[M+NH4]+	150.08732	132.0
[M+K]+	171.01666	130.7
[M-H]-	131.04622	124.3
[M+Na-2H]-	153.02817	128.1
[M]+	132.05295	125.9
[M]-	132.05405	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe