CID 13556666

3-chloropyrrolidin-2-one

Structural Information

Molecular Formula
C4H6ClNO
SMILES
C1CNC(=O)C1Cl
InChI
InChI=1S/C4H6ClNO/c5-3-1-2-6-4(3)7/h3H,1-2H2,(H,6,7)
InChIKey
PJVMVQJOLWEKJV-UHFFFAOYSA-N
Compound name
3-chloropyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

119.013794 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02107 119.5
[M+Na]+ 142.00301 130.5
[M+NH4]+ 137.04762 128.2
[M+K]+ 157.97695 126.5
[M-H]- 118.00652 119.6
[M+Na-2H]- 139.98846 124.0
[M]+ 119.01325 121.0
[M]- 119.01434 121.0
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