CID 155822228

3-oxopyrrolidine-1-carbonyl chloride

Structural Information

Molecular Formula

C₅H₆ClNO₂

SMILES

C1CN(CC1=O)C(=O)Cl

InChI

InChI=1S/C5H6ClNO2/c6-5(9)7-2-1-4(8)3-7/h1-3H2

InChIKey

FPJLBBWOGFXFGO-UHFFFAOYSA-N

Compound name

3-oxopyrrolidine-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 147.00871 Da
Monoisotopic Mass: 0.3
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]+	148.01599	126.1
[M+Na]+	169.99793	136.7
[M+NH4]+	165.04253	134.1
[M+K]+	185.97187	133.5
[M-H]-	146.00143	125.7
[M+Na-2H]-	167.98338	130.0
[M]+	147.00816	127.4
[M]-	147.00926	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.