CID 146544

N-nitrosarcosine

Structural Information

Molecular Formula

C₃H₆N₂O₄

SMILES

CN(CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C3H6N2O4/c1-4(5(8)9)2-3(6)7/h2H2,1H3,(H,6,7)

InChIKey

JMYXZXXYZJUMQZ-UHFFFAOYSA-N

Compound name

2-[methyl(nitro)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 134.03276 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]+	135.04004	121.3
[M+Na]+	157.02198	127.8
[M-H]-	133.02548	122.1
[M+NH4]+	152.06658	141.8
[M+K]+	172.99592	125.6
[M+H-H2O]+	117.03002	121.1
[M+HCOO]-	179.03096	147.1
[M+CH3COO]-	193.04661	168.3
[M+Na-2H]-	155.00743	128.7
[M]+	134.03221	120.3
[M]-	134.03331	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe