CID 439375

N-carbamoylsarcosine

Structural Information

Molecular Formula

C₄H₈N₂O₃

SMILES

CN(CC(=O)O)C(=O)N

InChI

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

InChIKey

SREKYKXYSQMOIB-UHFFFAOYSA-N

Compound name

2-[carbamoyl(methyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 4
References: 358
Patents: 132.0535 Da
Monoisotopic Mass: -1.3
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	125.4
[M+Na]+	155.04272	131.6
[M-H]-	131.04622	125.6
[M+NH4]+	150.08732	146.2
[M+K]+	171.01666	133.1
[M+H-H2O]+	115.05076	120.2
[M+HCOO]-	177.05170	149.4
[M+CH3COO]-	191.06735	176.4
[M+Na-2H]-	153.02817	129.0
[M]+	132.05295	124.1
[M]-	132.05405	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe