CID 736489

1-carbobenzoxy-4-piperidinecarboxylic acid

Structural Information

Molecular Formula
C14H17NO4
SMILES
C1CN(CCC1C(=O)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H17NO4/c16-13(17)12-6-8-15(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)
InChIKey
URTPNQRAHXRPMP-UHFFFAOYSA-N
Compound name
1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1328
Patents

263.11575 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.123026 159.6
[M+Na]+ 286.104968 163.4
[M-H]- 262.108474 162.5
[M+NH4]+ 281.149573 173.3
[M+K]+ 302.078908 161.2
[M+H-H2O]+ 246.113010 151.4
[M+HCOO]- 308.113951 176.0
[M+CH3COO]- 322.129601 191.4
[M+Na-2H]- 284.090416 161.2
[M]+ 263.11520142 156.3
[M]- 263.11629858 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe