CID 3024925

Sr 41678

Structural Information

Molecular Formula
C12H14ClNO
SMILES
CC1CC(NC1=O)CC2=CC=CC=C2Cl
InChI
InChI=1S/C12H14ClNO/c1-8-6-10(14-12(8)15)7-9-4-2-3-5-11(9)13/h2-5,8,10H,6-7H2,1H3,(H,14,15)
InChIKey
HXUIYPGUOGMPHA-UHFFFAOYSA-N
Compound name
5-[(2-chlorophenyl)methyl]-3-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.07639 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08367 149.5
[M+Na]+ 246.06561 158.3
[M-H]- 222.06911 153.5
[M+NH4]+ 241.11021 168.7
[M+K]+ 262.03955 152.5
[M+H-H2O]+ 206.07365 143.4
[M+HCOO]- 268.07459 165.4
[M+CH3COO]- 282.09024 185.0
[M+Na-2H]- 244.05106 150.9
[M]+ 223.07584 148.3
[M]- 223.07694 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.