CID 105444890

4-(hydroxymethyl)-4-phenylpyrrolidin-2-one

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1C(=O)NCC1(CO)C2=CC=CC=C2
InChI
InChI=1S/C11H13NO2/c13-8-11(6-10(14)12-7-11)9-4-2-1-3-5-9/h1-5,13H,6-8H2,(H,12,14)
InChIKey
OKIQSCNPQUOBGF-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-4-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 141.7
[M+Na]+ 214.083858 148.8
[M-H]- 190.087364 144.4
[M+NH4]+ 209.128463 162.0
[M+K]+ 230.057798 144.9
[M+H-H2O]+ 174.091900 135.6
[M+HCOO]- 236.092841 161.4
[M+CH3COO]- 250.108491 174.9
[M+Na-2H]- 212.069306 146.3
[M]+ 191.09409142 137.3
[M]- 191.09518858 137.3
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.