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]+ 192.10192 141.7
[M+Na]+ 214.08386 148.8
[M-H]- 190.08736 144.4
[M+NH4]+ 209.12846 162.0
[M+K]+ 230.05780 144.9
[M+H-H2O]+ 174.09190 135.6
[M+HCOO]- 236.09284 161.4
[M+CH3COO]- 250.10849 174.9
[M+Na-2H]- 212.06931 146.3
[M]+ 191.09409 137.3
[M]- 191.09519 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.