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

183
Patents

133.02943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.03671 124.7
[M+Na]+ 156.01865 133.5
[M-H]- 132.02215 126.6
[M+NH4]+ 151.06325 147.9
[M+K]+ 171.99259 131.2
[M+H-H2O]+ 116.02669 119.7
[M+HCOO]- 178.02763 142.7
[M+CH3COO]- 192.04328 168.9
[M+Na-2H]- 154.00410 129.3
[M]+ 133.02888 124.2
[M]- 133.02998 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