CID 64865956

4-(pyrrolidine-2-carbonyl)phenol hydrochloride

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CC(NC1)C(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C11H13NO2/c13-9-5-3-8(4-6-9)11(14)10-2-1-7-12-10/h3-6,10,12-13H,1-2,7H2
InChIKey
KTXAIQQSZAWCJP-UHFFFAOYSA-N
Compound name
(4-hydroxyphenyl)-pyrrolidin-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 142.0
[M+Na]+ 214.08386 147.8
[M-H]- 190.08736 144.4
[M+NH4]+ 209.12846 160.2
[M+K]+ 230.05780 144.3
[M+H-H2O]+ 174.09190 135.3
[M+HCOO]- 236.09284 160.6
[M+CH3COO]- 250.10849 176.3
[M+Na-2H]- 212.06931 144.3
[M]+ 191.09409 136.6
[M]- 191.09519 136.6
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.