CID 14248197

25055-86-1

Structural Information

Molecular Formula

C₅H₈N₂O₂

SMILES

CC1(N=N1)CCC(=O)O

InChI

InChI=1S/C5H8N2O2/c1-5(6-7-5)3-2-4(8)9/h2-3H2,1H3,(H,8,9)

InChIKey

DSOGRJSLWCABBW-UHFFFAOYSA-N

Compound name

3-(3-methyldiazirin-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 128.05858 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]+	129.065856	131.9
[M+Na]+	151.047798	142.8
[M-H]-	127.051304	133.2
[M+NH4]+	146.092403	147.8
[M+K]+	167.021738	141.2
[M+H-H2O]+	111.055840	126.1
[M+HCOO]-	173.056781	153.2
[M+CH3COO]-	187.072431	172.2
[M+Na-2H]-	149.033246	139.7
[M]+	128.05803142	136.3
[M]-	128.05912858	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe