CID 20112702

1-(3-phenoxypropanoyl)piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C15H19NO4
SMILES
C1CC(CN(C1)C(=O)CCOC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H19NO4/c17-14(8-10-20-13-6-2-1-3-7-13)16-9-4-5-12(11-16)15(18)19/h1-3,6-7,12H,4-5,8-11H2,(H,18,19)
InChIKey
OHOJVBUUZIIGTK-UHFFFAOYSA-N
Compound name
1-(3-phenoxypropanoyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1314 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 163.8
[M+Na]+ 300.12062 167.1
[M-H]- 276.12412 166.5
[M+NH4]+ 295.16522 176.9
[M+K]+ 316.09456 164.7
[M+H-H2O]+ 260.12866 155.4
[M+HCOO]- 322.12960 179.9
[M+CH3COO]- 336.14525 195.0
[M+Na-2H]- 298.10607 164.9
[M]+ 277.13085 161.0
[M]- 277.13195 161.0
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

No patent data available for this compound.