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

11
Patents

221.1052 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 149.5
[M+Na]+ 244.09442 154.3
[M-H]- 220.09792 150.3
[M+NH4]+ 239.13902 164.0
[M+K]+ 260.06836 150.3
[M+H-H2O]+ 204.10246 142.5
[M+HCOO]- 266.10340 164.2
[M+CH3COO]- 280.11905 180.8
[M+Na-2H]- 242.07987 151.7
[M]+ 221.10465 142.3
[M]- 221.10575 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