CID 3049033

N-methyl-3-(m-trifluoromethylphenyl)piperidine hydrochloride

Structural Information

Molecular Formula
C13H16F3N
SMILES
CN1CCCC(C1)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C13H16F3N/c1-17-7-3-5-11(9-17)10-4-2-6-12(8-10)13(14,15)16/h2,4,6,8,11H,3,5,7,9H2,1H3
InChIKey
SIYWTPMDRMFZJQ-UHFFFAOYSA-N
Compound name
1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

243.12349 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13077 153.7
[M+Na]+ 266.11271 160.3
[M-H]- 242.11621 154.5
[M+NH4]+ 261.15731 169.7
[M+K]+ 282.08665 156.1
[M+H-H2O]+ 226.12075 143.6
[M+HCOO]- 288.12169 167.9
[M+CH3COO]- 302.13734 192.9
[M+Na-2H]- 264.09816 156.6
[M]+ 243.12294 145.4
[M]- 243.12404 145.4
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