CID 3024928

Sr 41873

Structural Information

Molecular Formula
C13H16ClNO
SMILES
CC1(CC(NC1=O)CC2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C13H16ClNO/c1-13(2)8-11(15-12(13)16)7-9-3-5-10(14)6-4-9/h3-6,11H,7-8H2,1-2H3,(H,15,16)
InChIKey
NDCWFTWYTRXNGU-UHFFFAOYSA-N
Compound name
5-[(4-chlorophenyl)methyl]-3,3-dimethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.09204 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.099316 152.3
[M+Na]+ 260.081258 161.6
[M-H]- 236.084764 156.5
[M+NH4]+ 255.125863 173.0
[M+K]+ 276.055198 155.8
[M+H-H2O]+ 220.089300 146.8
[M+HCOO]- 282.090241 168.0
[M+CH3COO]- 296.105891 187.5
[M+Na-2H]- 258.066706 154.5
[M]+ 237.09149142 151.7
[M]- 237.09258858 151.7
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.