CID 4992869

2-(3-phenoxyphenyl)piperidine oxalate

Structural Information

Molecular Formula
C17H19NO
SMILES
C1CCNC(C1)C2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C17H19NO/c1-2-8-15(9-3-1)19-16-10-6-7-14(13-16)17-11-4-5-12-18-17/h1-3,6-10,13,17-18H,4-5,11-12H2
InChIKey
XCEHUGGGSSQBKS-UHFFFAOYSA-N
Compound name
2-(3-phenoxyphenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.14667 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.15395 161.6
[M+Na]+ 276.13589 176.4
[M+NH4]+ 271.18049 171.1
[M+K]+ 292.10983 167.1
[M-H]- 252.13939 168.1
[M+Na-2H]- 274.12134 172.2
[M]+ 253.14612 165.6
[M]- 253.14722 165.6
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.