CID 73994670

1-(1,1,1-trifluoropropan-2-yl)piperazine

Structural Information

Molecular Formula
C7H13F3N2
SMILES
CC(C(F)(F)F)N1CCNCC1
InChI
InChI=1S/C7H13F3N2/c1-6(7(8,9)10)12-4-2-11-3-5-12/h6,11H,2-5H2,1H3
InChIKey
WCRXTGORRIAFDQ-UHFFFAOYSA-N
Compound name
1-(1,1,1-trifluoropropan-2-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 138.9
[M+Na]+ 205.09231 144.1
[M-H]- 181.09581 133.5
[M+NH4]+ 200.13691 155.1
[M+K]+ 221.06625 141.8
[M+H-H2O]+ 165.10035 129.8
[M+HCOO]- 227.10129 149.8
[M+CH3COO]- 241.11694 177.9
[M+Na-2H]- 203.07776 142.2
[M]+ 182.10254 128.1
[M]- 182.10364 128.1
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