CID 11162411

4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butan-1-amine

Structural Information

Molecular Formula
C15H22F3N3
SMILES
C1CN(CCN1CCCCN)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C15H22F3N3/c16-15(17,18)13-4-3-5-14(12-13)21-10-8-20(9-11-21)7-2-1-6-19/h3-5,12H,1-2,6-11,19H2
InChIKey
VOPRQONKUAZUBX-UHFFFAOYSA-N
Compound name
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

301.17657 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.18385 171.9
[M+Na]+ 324.16579 176.7
[M-H]- 300.16929 170.2
[M+NH4]+ 319.21039 183.5
[M+K]+ 340.13973 171.4
[M+H-H2O]+ 284.17383 160.0
[M+HCOO]- 346.17477 184.5
[M+CH3COO]- 360.19042 205.8
[M+Na-2H]- 322.15124 173.2
[M]+ 301.17602 163.1
[M]- 301.17712 163.1
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