CID 4992869

1177353-02-4

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]+ 254.153946 159.2
[M+Na]+ 276.135888 163.1
[M-H]- 252.139394 164.8
[M+NH4]+ 271.180493 173.0
[M+K]+ 292.109828 157.8
[M+H-H2O]+ 236.143930 149.7
[M+HCOO]- 298.144871 176.9
[M+CH3COO]- 312.160521 169.1
[M+Na-2H]- 274.121336 163.9
[M]+ 253.14612142 152.6
[M]- 253.14721858 152.6
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.