CID 23591876

1-[4-(hydroxymethyl)phenyl]pyrrolidin-2-one

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CC(=O)N(C1)C2=CC=C(C=C2)CO
InChI
InChI=1S/C11H13NO2/c13-8-9-3-5-10(6-4-9)12-7-1-2-11(12)14/h3-6,13H,1-2,7-8H2
InChIKey
QMZHSGQUWCNZID-UHFFFAOYSA-N
Compound name
1-[4-(hydroxymethyl)phenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

191.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 140.8
[M+Na]+ 214.083858 148.2
[M-H]- 190.087364 144.9
[M+NH4]+ 209.128463 160.1
[M+K]+ 230.057798 145.1
[M+H-H2O]+ 174.091900 134.0
[M+HCOO]- 236.092841 161.9
[M+CH3COO]- 250.108491 179.1
[M+Na-2H]- 212.069306 144.1
[M]+ 191.09409142 138.3
[M]- 191.09518858 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

No literature data available for this compound.

Patent stripe

patents stripe