CID 29078189

2-hydroxy-5-(piperidin-4-yl)benzoic acid hydrobromide

Structural Information

Molecular Formula
C12H15NO3
SMILES
C1CNCCC1C2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C12H15NO3/c14-11-2-1-9(7-10(11)12(15)16)8-3-5-13-6-4-8/h1-2,7-8,13-14H,3-6H2,(H,15,16)
InChIKey
SCGBYTGKZARIPW-UHFFFAOYSA-N
Compound name
2-hydroxy-5-piperidin-4-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

221.1052 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.112476 149.5
[M+Na]+ 244.094418 154.3
[M-H]- 220.097924 150.3
[M+NH4]+ 239.139023 164.0
[M+K]+ 260.068358 150.3
[M+H-H2O]+ 204.102460 142.5
[M+HCOO]- 266.103401 164.2
[M+CH3COO]- 280.119051 180.8
[M+Na-2H]- 242.079866 151.7
[M]+ 221.10465142 142.3
[M]- 221.10574858 142.3
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