CID 2770497

1-(chloromethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C5H8ClNO
SMILES
C1CC(=O)N(C1)CCl
InChI
InChI=1S/C5H8ClNO/c6-4-7-3-1-2-5(7)8/h1-4H2
InChIKey
KEBMRNXDMRFGNV-UHFFFAOYSA-N
Compound name
1-(chloromethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

207
Patents

133.02943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.036706 124.7
[M+Na]+ 156.018648 133.5
[M-H]- 132.022154 126.6
[M+NH4]+ 151.063253 147.9
[M+K]+ 171.992588 131.2
[M+H-H2O]+ 116.026690 119.7
[M+HCOO]- 178.027631 142.7
[M+CH3COO]- 192.043281 168.9
[M+Na-2H]- 154.004096 129.3
[M]+ 133.02888142 124.2
[M]- 133.02997858 124.2
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