CID 18919494

162504-85-0

Structural Information

Molecular Formula
C15H19NO5
SMILES
C1CN(CCC1OCC(=O)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H19NO5/c17-14(18)11-20-13-6-8-16(9-7-13)15(19)21-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,18)
InChIKey
WMFVDLNUEFUSES-UHFFFAOYSA-N
Compound name
2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

293.1263 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13358 166.5
[M+Na]+ 316.11552 169.7
[M-H]- 292.11902 169.2
[M+NH4]+ 311.16012 178.9
[M+K]+ 332.08946 168.0
[M+H-H2O]+ 276.12356 157.9
[M+HCOO]- 338.12450 182.8
[M+CH3COO]- 352.14015 196.5
[M+Na-2H]- 314.10097 167.8
[M]+ 293.12575 165.1
[M]- 293.12685 165.1
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