CID 225361

98841-68-0

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CCN(C1)C(=O)C2=CC=CC=C2O
InChI
InChI=1S/C11H13NO2/c13-10-6-2-1-5-9(10)11(14)12-7-3-4-8-12/h1-2,5-6,13H,3-4,7-8H2
InChIKey
LELBEJMWNJWJDG-UHFFFAOYSA-N
Compound name
(2-hydroxyphenyl)-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

191.09464 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 141.7
[M+Na]+ 214.083858 148.0
[M-H]- 190.087364 145.5
[M+NH4]+ 209.128463 160.7
[M+K]+ 230.057798 145.4
[M+H-H2O]+ 174.091900 134.8
[M+HCOO]- 236.092841 161.9
[M+CH3COO]- 250.108491 178.1
[M+Na-2H]- 212.069306 144.4
[M]+ 191.09409142 138.1
[M]- 191.09518858 138.1
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