CID 43607688

N-methyl-n-{[3-(trifluoromethyl)phenyl]methyl}piperidin-4-amine dihydrochloride

Structural Information

Molecular Formula
C14H19F3N2
SMILES
CN(CC1=CC(=CC=C1)C(F)(F)F)C2CCNCC2
InChI
InChI=1S/C14H19F3N2/c1-19(13-5-7-18-8-6-13)10-11-3-2-4-12(9-11)14(15,16)17/h2-4,9,13,18H,5-8,10H2,1H3
InChIKey
OCJAKFGLDBXOSM-UHFFFAOYSA-N
Compound name
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.15002 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15730 161.7
[M+Na]+ 295.13924 165.7
[M-H]- 271.14274 161.8
[M+NH4]+ 290.18384 175.8
[M+K]+ 311.11318 161.7
[M+H-H2O]+ 255.14728 150.9
[M+HCOO]- 317.14822 175.6
[M+CH3COO]- 331.16387 200.4
[M+Na-2H]- 293.12469 164.1
[M]+ 272.14947 152.0
[M]- 272.15057 152.0
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.