CID 43108356

2-(4-hydroxypiperidin-1-yl)-2-phenylacetic acid hydrochloride

Structural Information

Molecular Formula
C13H17NO3
SMILES
C1CN(CCC1O)C(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H17NO3/c15-11-6-8-14(9-7-11)12(13(16)17)10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,16,17)
InChIKey
ZJDTZMAMQPBQMM-UHFFFAOYSA-N
Compound name
2-(4-hydroxypiperidin-1-yl)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

235.12085 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 153.5
[M+Na]+ 258.11007 157.0
[M-H]- 234.11357 155.1
[M+NH4]+ 253.15467 167.7
[M+K]+ 274.08401 154.1
[M+H-H2O]+ 218.11811 145.9
[M+HCOO]- 280.11905 168.3
[M+CH3COO]- 294.13470 185.9
[M+Na-2H]- 256.09552 155.1
[M]+ 235.12030 147.4
[M]- 235.12140 147.4
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