CID 3057395

1-(alpha-methyl-m-trifluoromethylphenethyl)piperazine

Structural Information

Molecular Formula
C14H19F3N2
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)N2CCNCC2
InChI
InChI=1S/C14H19F3N2/c1-11(19-7-5-18-6-8-19)9-12-3-2-4-13(10-12)14(15,16)17/h2-4,10-11,18H,5-9H2,1H3
InChIKey
JWBWQOPRYQNRPG-UHFFFAOYSA-N
Compound name
1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.15002 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15730 163.2
[M+Na]+ 295.13924 167.6
[M-H]- 271.14274 160.6
[M+NH4]+ 290.18384 175.5
[M+K]+ 311.11318 162.6
[M+H-H2O]+ 255.14728 152.1
[M+HCOO]- 317.14822 173.2
[M+CH3COO]- 331.16387 195.7
[M+Na-2H]- 293.12469 164.7
[M]+ 272.14947 152.9
[M]- 272.15057 152.9
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.