CID 62674056

2-methyl-1-(2,2,2-trifluoroethyl)piperazine hydrochloride

Structural Information

Molecular Formula
C7H13F3N2
SMILES
CC1CNCCN1CC(F)(F)F
InChI
InChI=1S/C7H13F3N2/c1-6-4-11-2-3-12(6)5-7(8,9)10/h6,11H,2-5H2,1H3
InChIKey
AXHYUDJJXOMEOH-UHFFFAOYSA-N
Compound name
2-methyl-1-(2,2,2-trifluoroethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10309 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11037 139.1
[M+Na]+ 205.09231 145.5
[M-H]- 181.09581 134.0
[M+NH4]+ 200.13691 155.7
[M+K]+ 221.06625 142.7
[M+H-H2O]+ 165.10035 130.1
[M+HCOO]- 227.10129 151.0
[M+CH3COO]- 241.11694 178.2
[M+Na-2H]- 203.07776 142.9
[M]+ 182.10254 129.3
[M]- 182.10364 129.3
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.