CID 21940694

1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CC(=O)N(C1)C2=CC=CC(=C2)CO
InChI
InChI=1S/C11H13NO2/c13-8-9-3-1-4-10(7-9)12-6-2-5-11(12)14/h1,3-4,7,13H,2,5-6,8H2
InChIKey
YJBPQVLWWIKHMW-UHFFFAOYSA-N
Compound name
1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

191.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 140.8
[M+Na]+ 214.08386 148.2
[M-H]- 190.08736 144.9
[M+NH4]+ 209.12846 160.1
[M+K]+ 230.05780 145.1
[M+H-H2O]+ 174.09190 134.0
[M+HCOO]- 236.09284 161.9
[M+CH3COO]- 250.10849 179.1
[M+Na-2H]- 212.06931 144.1
[M]+ 191.09409 138.3
[M]- 191.09519 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