CID 37993

38252-74-3

Structural Information

Molecular Formula

C₈H₁₆N₂O₃

SMILES

CCCCN(CCCC(=O)O)N=O

InChI

InChI=1S/C8H16N2O3/c1-2-3-6-10(9-13)7-4-5-8(11)12/h2-7H2,1H3,(H,11,12)

InChIKey

OAAQPYUFAOHUMT-UHFFFAOYSA-N

Compound name

4-[butyl(nitroso)amino]butanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 28
References: 58
Patents: 188.11609 Da
Monoisotopic Mass: 1.2
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]+	189.12337	142.1
[M+Na]+	211.10531	147.2
[M-H]-	187.10881	143.4
[M+NH4]+	206.14991	161.7
[M+K]+	227.07925	148.4
[M+H-H2O]+	171.11335	135.8
[M+HCOO]-	233.11429	167.9
[M+CH3COO]-	247.12994	191.5
[M+Na-2H]-	209.09076	146.6
[M]+	188.11554	146.1
[M]-	188.11664	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe