CID 41224

4-[ethyl(nitroso)amino]butanoic acid

Structural Information

Molecular Formula

C₆H₁₂N₂O₃

SMILES

CCN(CCCC(=O)O)N=O

InChI

InChI=1S/C6H12N2O3/c1-2-8(7-11)5-3-4-6(9)10/h2-5H2,1H3,(H,9,10)

InChIKey

KQCXYYVZPUYXDQ-UHFFFAOYSA-N

Compound name

4-[ethyl(nitroso)amino]butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 160.0848 Da
Monoisotopic Mass: 0.4
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]+	161.09208	133.9
[M+Na]+	183.07402	141.4
[M+NH4]+	178.11862	140.0
[M+K]+	199.04796	138.0
[M-H]-	159.07752	133.0
[M+Na-2H]-	181.05947	136.6
[M]+	160.08425	134.1
[M]-	160.08535	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe