CID 88440

1-(chloroacetyl)pyrrolidine

Structural Information

Molecular Formula

C₆H₁₀ClNO

SMILES

C1CCN(C1)C(=O)CCl

InChI

InChI=1S/C6H10ClNO/c7-5-6(9)8-3-1-2-4-8/h1-5H2

InChIKey

AAOSLLBWWRKJIR-UHFFFAOYSA-N

Compound name

2-chloro-1-pyrrolidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 797
Patents: 147.04509 Da
Monoisotopic Mass: 0.8
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]+	148.052366	130.4
[M+Na]+	170.034308	137.7
[M-H]-	146.037814	132.0
[M+NH4]+	165.078913	152.7
[M+K]+	186.008248	135.6
[M+H-H2O]+	130.042350	125.0
[M+HCOO]-	192.043291	147.2
[M+CH3COO]-	206.058941	171.0
[M+Na-2H]-	168.019756	133.9
[M]+	147.04454142	129.2
[M]-	147.04563858	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe