CID 3024929

Sr 41880

Structural Information

Molecular Formula
C13H16ClNO
SMILES
CC1(CC(NC1=O)CC2=CC=CC=C2Cl)C
InChI
InChI=1S/C13H16ClNO/c1-13(2)8-10(15-12(13)16)7-9-5-3-4-6-11(9)14/h3-6,10H,7-8H2,1-2H3,(H,15,16)
InChIKey
AGZGCOHZUSXBIH-UHFFFAOYSA-N
Compound name
5-[(2-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]+ 238.09932 152.3
[M+Na]+ 260.08126 161.6
[M-H]- 236.08476 156.5
[M+NH4]+ 255.12586 173.0
[M+K]+ 276.05520 155.8
[M+H-H2O]+ 220.08930 146.8
[M+HCOO]- 282.09024 168.0
[M+CH3COO]- 296.10589 187.5
[M+Na-2H]- 258.06671 154.5
[M]+ 237.09149 151.7
[M]- 237.09259 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.