CID 20394181

4-piperidinecarboxylicacid, 4-hydroxy-1-(phenylmethyl)-

Structural Information

Molecular Formula
C13H17NO3
SMILES
C1CN(CCC1(C(=O)O)O)CC2=CC=CC=C2
InChI
InChI=1S/C13H17NO3/c15-12(16)13(17)6-8-14(9-7-13)10-11-4-2-1-3-5-11/h1-5,17H,6-10H2,(H,15,16)
InChIKey
AFPNLFVPVQRYFL-UHFFFAOYSA-N
Compound name
1-benzyl-4-hydroxypiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

235.12085 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 154.1
[M+Na]+ 258.11007 159.0
[M-H]- 234.11357 156.1
[M+NH4]+ 253.15467 170.5
[M+K]+ 274.08401 155.9
[M+H-H2O]+ 218.11811 147.1
[M+HCOO]- 280.11905 170.0
[M+CH3COO]- 294.13470 184.5
[M+Na-2H]- 256.09552 158.0
[M]+ 235.12030 149.1
[M]- 235.12140 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