CID 3156650

1-(2-chloroethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C6H10ClNO
SMILES
C1CC(=O)N(C1)CCCl
InChI
InChI=1S/C6H10ClNO/c7-3-5-8-4-1-2-6(8)9/h1-5H2
InChIKey
CWLYHDWHNFLUEI-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

292
Patents

147.04509 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.052366 129.4
[M+Na]+ 170.034308 137.8
[M-H]- 146.037814 131.1
[M+NH4]+ 165.078913 152.0
[M+K]+ 186.008248 135.2
[M+H-H2O]+ 130.042350 124.2
[M+HCOO]- 192.043291 147.1
[M+CH3COO]- 206.058941 171.9
[M+Na-2H]- 168.019756 133.5
[M]+ 147.04454142 129.2
[M]- 147.04563858 129.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe