CID 22281413

1-(3,3,3-trifluoropropyl)piperazine

Structural Information

Molecular Formula
C7H13F3N2
SMILES
C1CN(CCN1)CCC(F)(F)F
InChI
InChI=1S/C7H13F3N2/c8-7(9,10)1-4-12-5-2-11-3-6-12/h11H,1-6H2
InChIKey
PYSUBPCPJRBSGH-UHFFFAOYSA-N
Compound name
1-(3,3,3-trifluoropropyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

182.10309 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.110366 139.1
[M+Na]+ 205.092308 144.4
[M-H]- 181.095814 133.5
[M+NH4]+ 200.136913 155.3
[M+K]+ 221.066248 141.7
[M+H-H2O]+ 165.100350 129.7
[M+HCOO]- 227.101291 150.9
[M+CH3COO]- 241.116941 177.1
[M+Na-2H]- 203.077756 143.5
[M]+ 182.10254142 128.9
[M]- 182.10363858 128.9
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