CID 138991310

Rac-(2r,3r)-2-methyl-3-(trifluoromethyl)piperazine dihydrochloride

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 135.3
[M+Na]+ 191.07665 141.6
[M-H]- 167.08015 128.9
[M+NH4]+ 186.12125 151.7
[M+K]+ 207.05059 138.2
[M+H-H2O]+ 151.08469 126.8
[M+HCOO]- 213.08563 146.0
[M+CH3COO]- 227.10128 172.6
[M+Na-2H]- 189.06210 139.0
[M]+ 168.08688 123.2
[M]- 168.08798 123.2
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.