CID 138991310

2309431-48-7

Structural Information

Molecular Formula
C6H11F3N2
SMILES
C[C@H]1[C@H](NCCN1)C(F)(F)F
InChI
InChI=1S/C6H11F3N2/c1-4-5(6(7,8)9)11-3-2-10-4/h4-5,10-11H,2-3H2,1H3/t4-,5-/m0/s1
InChIKey
AUJABXPYMJQODY-WHFBIAKZSA-N
Compound name
(2S,3S)-2-methyl-3-(trifluoromethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.08743 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09471 139.1
[M+Na]+ 191.07665 145.9
[M+NH4]+ 186.12125 144.0
[M+K]+ 207.05059 141.9
[M-H]- 167.08015 134.1
[M+Na-2H]- 189.06210 140.7
[M]+ 168.08688 138.1
[M]- 168.08798 138.1
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

No patent data available for this compound.