CID 20343117

1-benzyl-3-hydroxypiperidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C13H17NO3
SMILES
C1CC(CN(C1)CC2=CC=CC=C2)(C(=O)O)O
InChI
InChI=1S/C13H17NO3/c15-12(16)13(17)7-4-8-14(10-13)9-11-5-2-1-3-6-11/h1-3,5-6,17H,4,7-10H2,(H,15,16)
InChIKey
SWVQCHFDOVFLPK-UHFFFAOYSA-N
Compound name
1-benzyl-3-hydroxypiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

235.12085 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.128126 154.1
[M+Na]+ 258.110068 159.0
[M-H]- 234.113574 156.1
[M+NH4]+ 253.154673 170.5
[M+K]+ 274.084008 155.9
[M+H-H2O]+ 218.118110 147.1
[M+HCOO]- 280.119051 170.0
[M+CH3COO]- 294.134701 184.5
[M+Na-2H]- 256.095516 158.0
[M]+ 235.12030142 149.1
[M]- 235.12139858 149.1
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