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]+ 238.09932 152.3
[M+Na]+ 260.08126 165.5
[M+NH4]+ 255.12586 162.4
[M+K]+ 276.05520 157.7
[M-H]- 236.08476 155.2
[M+Na-2H]- 258.06671 159.9
[M]+ 237.09149 155.4
[M]- 237.09259 155.4
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.