CID 91618286

25055-90-7

Structural Information

Molecular Formula

C₅H₇ClN₂O

SMILES

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

InChI

InChI=1S/C5H7ClN2O/c1-5(7-8-5)3-2-4(6)9/h2-3H2,1H3

InChIKey

TWWRVYIWEQXHLZ-UHFFFAOYSA-N

Compound name

3-(3-methyldiazirin-3-yl)propanoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 146.02469 Da
Monoisotopic Mass: 1.3
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]+	147.031966	131.1
[M+Na]+	169.013908	142.7
[M-H]-	145.017414	133.3
[M+NH4]+	164.058513	147.7
[M+K]+	184.987848	140.0
[M+H-H2O]+	129.021950	125.5
[M+HCOO]-	191.022891	149.2
[M+CH3COO]-	205.038541	176.6
[M+Na-2H]-	166.999356	139.0
[M]+	146.02414142	137.2
[M]-	146.02523858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe