CID 3042359

59618-42-7

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC1=CC(=CC=C1)C2(CCC(=O)N2C)O
InChI
InChI=1S/C12H15NO2/c1-9-4-3-5-10(8-9)12(15)7-6-11(14)13(12)2/h3-5,8,15H,6-7H2,1-2H3
InChIKey
YVSSROZPEKIDFD-UHFFFAOYSA-N
Compound name
5-hydroxy-1-methyl-5-(3-methylphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

205.11028 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 145.7
[M+Na]+ 228.09950 157.8
[M+NH4]+ 223.14410 155.2
[M+K]+ 244.07344 151.7
[M-H]- 204.10300 148.1
[M+Na-2H]- 226.08495 153.1
[M]+ 205.10973 148.2
[M]- 205.11083 148.2
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