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

180
Patents

235.12085 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.128126 153.5
[M+Na]+ 258.110068 157.0
[M-H]- 234.113574 155.1
[M+NH4]+ 253.154673 167.7
[M+K]+ 274.084008 154.1
[M+H-H2O]+ 218.118110 145.9
[M+HCOO]- 280.119051 168.3
[M+CH3COO]- 294.134701 185.9
[M+Na-2H]- 256.095516 155.1
[M]+ 235.12030142 147.4
[M]- 235.12139858 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