CID 151262

5578-98-3

Structural Information

Molecular Formula
C11H13NO
SMILES
CC1(CCC(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C11H13NO/c1-11(8-7-10(13)12-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChIKey
QQPZUNZVKFTDSY-UHFFFAOYSA-N
Compound name
5-methyl-5-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

175.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 137.8
[M+Na]+ 198.08894 145.4
[M-H]- 174.09244 141.9
[M+NH4]+ 193.13354 159.6
[M+K]+ 214.06288 141.9
[M+H-H2O]+ 158.09698 131.6
[M+HCOO]- 220.09792 158.8
[M+CH3COO]- 234.11357 175.4
[M+Na-2H]- 196.07439 142.8
[M]+ 175.09917 133.8
[M]- 175.10027 133.8
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

patents stripe