CID 12560815

5,5-dimethyl-4-phenylpyrrolidin-2-one

Structural Information

Molecular Formula
C12H15NO
SMILES
CC1(C(CC(=O)N1)C2=CC=CC=C2)C
InChI
InChI=1S/C12H15NO/c1-12(2)10(8-11(14)13-12)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)
InChIKey
QJIXVNXAUDWTOC-UHFFFAOYSA-N
Compound name
5,5-dimethyl-4-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

189.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 141.5
[M+Na]+ 212.10459 149.6
[M-H]- 188.10809 145.9
[M+NH4]+ 207.14919 163.1
[M+K]+ 228.07853 145.9
[M+H-H2O]+ 172.11263 135.5
[M+HCOO]- 234.11357 162.2
[M+CH3COO]- 248.12922 179.6
[M+Na-2H]- 210.09004 145.4
[M]+ 189.11482 138.3
[M]- 189.11592 138.3
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