CID 3053803

N-propyl-3-(m-trifluoromethylphenyl)piperidine oxalate

Structural Information

Molecular Formula
C15H20F3N
SMILES
CCCN1CCCC(C1)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C15H20F3N/c1-2-8-19-9-4-6-13(11-19)12-5-3-7-14(10-12)15(16,17)18/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3
InChIKey
GBOLYPGBMMGDGB-UHFFFAOYSA-N
Compound name
1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

271.1548 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16208 163.0
[M+Na]+ 294.14402 168.7
[M-H]- 270.14752 163.3
[M+NH4]+ 289.18862 177.9
[M+K]+ 310.11796 164.0
[M+H-H2O]+ 254.15206 152.4
[M+HCOO]- 316.15300 176.5
[M+CH3COO]- 330.16865 198.9
[M+Na-2H]- 292.12947 164.8
[M]+ 271.15425 155.3
[M]- 271.15535 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe