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

16
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

No literature data available for this compound.

Patent stripe

patents stripe