CID 4431026

28697-07-6

Structural Information

Molecular Formula
C14H17NO4
SMILES
C1CCN(C(C1)C(=O)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H17NO4/c16-13(17)12-8-4-5-9-15(12)14(18)19-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,16,17)
InChIKey
ZSAIHAKADPJIGN-UHFFFAOYSA-N
Compound name
1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

326
Patents

263.11575 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 159.6
[M+Na]+ 286.10497 163.4
[M-H]- 262.10847 162.5
[M+NH4]+ 281.14957 173.3
[M+K]+ 302.07891 161.2
[M+H-H2O]+ 246.11301 151.4
[M+HCOO]- 308.11395 176.0
[M+CH3COO]- 322.12960 191.4
[M+Na-2H]- 284.09042 161.2
[M]+ 263.11520 156.3
[M]- 263.11630 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