CID 14537076

115655-41-9

Structural Information

Molecular Formula
C14H18N2O4
SMILES
C1CN(CCC1(C(=O)O)N)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H18N2O4/c15-14(12(17)18)6-8-16(9-7-14)13(19)20-10-11-4-2-1-3-5-11/h1-5H,6-10,15H2,(H,17,18)
InChIKey
IGBNRWWMKJGMLH-UHFFFAOYSA-N
Compound name
4-amino-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

278.12665 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13393 164.0
[M+Na]+ 301.11587 172.8
[M+NH4]+ 296.16047 170.9
[M+K]+ 317.08981 167.0
[M-H]- 277.11937 165.2
[M+Na-2H]- 299.10132 169.8
[M]+ 278.12610 165.2
[M]- 278.12720 165.2
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