CID 24711865

1-(2,2,2-trifluoroethyl)piperidin-3-amine dihydrochloride

Structural Information

Molecular Formula
C7H13F3N2
SMILES
C1CC(CN(C1)CC(F)(F)F)N
InChI
InChI=1S/C7H13F3N2/c8-7(9,10)5-12-3-1-2-6(11)4-12/h6H,1-5,11H2
InChIKey
LFNPPORHPVBDHE-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)piperidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

182.10309 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11037 137.7
[M+Na]+ 205.09231 143.6
[M-H]- 181.09581 134.8
[M+NH4]+ 200.13691 155.7
[M+K]+ 221.06625 141.4
[M+H-H2O]+ 165.10035 129.0
[M+HCOO]- 227.10129 152.8
[M+CH3COO]- 241.11694 182.2
[M+Na-2H]- 203.07776 141.3
[M]+ 182.10254 127.5
[M]- 182.10364 127.5
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