CID 43659

61445-55-4

Structural Information

Molecular Formula

C₅H₁₀N₂O₃

SMILES

CN(CCCC(=O)O)N=O

InChI

InChI=1S/C5H10N2O3/c1-7(6-10)4-2-3-5(8)9/h2-4H2,1H3,(H,8,9)

InChIKey

SJLBIPLIGYWGJV-UHFFFAOYSA-N

Compound name

4-[methyl(nitroso)amino]butanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 376
Patents: 146.06914 Da
Monoisotopic Mass: 0.0
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]+	147.07642	128.2
[M+Na]+	169.05836	134.5
[M-H]-	145.06186	130.1
[M+NH4]+	164.10296	149.4
[M+K]+	185.03230	136.5
[M+H-H2O]+	129.06640	122.5
[M+HCOO]-	191.06734	155.0
[M+CH3COO]-	205.08299	182.4
[M+Na-2H]-	167.04381	134.2
[M]+	146.06859	131.0
[M]-	146.06969	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe