CID 66109324

4-(4-chlorophenyl)-4-methylpyrrolidin-2-one

Structural Information

Molecular Formula
C11H12ClNO
SMILES
CC1(CC(=O)NC1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H12ClNO/c1-11(6-10(14)13-7-11)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,13,14)
InChIKey
CXMBMJSSMWCTCP-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-4-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06075 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06803 144.0
[M+Na]+ 232.04997 153.3
[M-H]- 208.05347 148.2
[M+NH4]+ 227.09457 165.5
[M+K]+ 248.02391 147.8
[M+H-H2O]+ 192.05801 138.5
[M+HCOO]- 254.05895 160.3
[M+CH3COO]- 268.07460 180.4
[M+Na-2H]- 230.03542 147.8
[M]+ 209.06020 142.3
[M]- 209.06130 142.3
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

No patent data available for this compound.