CID 170434

N-ethyl-n-nitrosoglycine

Structural Information

Molecular Formula

C₄H₈N₂O₃

SMILES

CCN(CC(=O)O)N=O

InChI

InChI=1S/C4H8N2O3/c1-2-6(5-9)3-4(7)8/h2-3H2,1H3,(H,7,8)

InChIKey

FGIAIVMJOQGFOI-UHFFFAOYSA-N

Compound name

2-[ethyl(nitroso)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 132.0535 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]+	133.06078	123.5
[M+Na]+	155.04272	130.3
[M-H]-	131.04622	125.6
[M+NH4]+	150.08732	145.3
[M+K]+	171.01666	132.5
[M+H-H2O]+	115.05076	118.0
[M+HCOO]-	177.05170	150.6
[M+CH3COO]-	191.06735	179.4
[M+Na-2H]-	153.02817	130.1
[M]+	132.05295	125.9
[M]-	132.05405	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe