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 163.9
[M+Na]+ 301.11587 167.9
[M-H]- 277.11937 166.6
[M+NH4]+ 296.16047 178.5
[M+K]+ 317.08981 165.8
[M+H-H2O]+ 261.12391 156.2
[M+HCOO]- 323.12485 180.8
[M+CH3COO]- 337.14050 195.5
[M+Na-2H]- 299.10132 166.2
[M]+ 278.12610 159.4
[M]- 278.12720 159.4
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