CID 25811

N-nitrososarcosine

Structural Information

Molecular Formula

C₃H₆N₂O₃

SMILES

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

InChI

InChI=1S/C3H6N2O3/c1-5(4-8)2-3(6)7/h2H2,1H3,(H,6,7)

InChIKey

HJMPSKKJHVWPBK-UHFFFAOYSA-N

Compound name

2-[methyl(nitroso)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 25
References: 514
Patents: 118.03784 Da
Monoisotopic Mass: -0.2
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]+	119.04512	118.9
[M+Na]+	141.02706	126.0
[M-H]-	117.03056	121.1
[M+NH4]+	136.07166	141.2
[M+K]+	157.00100	128.5
[M+H-H2O]+	101.03510	113.5
[M+HCOO]-	163.03604	146.3
[M+CH3COO]-	177.05169	176.3
[M+Na-2H]-	139.01251	126.0
[M]+	118.03729	120.9
[M]-	118.03839	120.9

Literature stripe

literature stripe

Patent stripe

patents stripe