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: 28
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]+	129.06586	129.1
[M+Na]+	151.04780	141.3
[M+NH4]+	146.09240	137.7
[M+K]+	167.02174	136.8
[M-H]-	127.05130	134.8
[M+Na-2H]-	149.03325	137.7
[M]+	128.05803	133.5
[M]-	128.05913	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe