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

1
Annotation Hits: 0
References: 774
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]+	148.05237	130.4
[M+Na]+	170.03431	137.7
[M-H]-	146.03781	132.0
[M+NH4]+	165.07891	152.7
[M+K]+	186.00825	135.6
[M+H-H2O]+	130.04235	125.0
[M+HCOO]-	192.04329	147.2
[M+CH3COO]-	206.05894	171.0
[M+Na-2H]-	168.01976	133.9
[M]+	147.04454	129.2
[M]-	147.04564	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe