CID 16228722

1-(2,2,2-trifluoroethyl)piperidin-4-amine

Structural Information

Molecular Formula
C7H13F3N2
SMILES
C1CN(CCC1N)CC(F)(F)F
InChI
InChI=1S/C7H13F3N2/c8-7(9,10)5-12-3-1-6(11)2-4-12/h6H,1-5,11H2
InChIKey
JJGAYYBQGNJNJQ-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

267
Patents

182.10309 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.110366 137.7
[M+Na]+ 205.092308 143.6
[M-H]- 181.095814 134.8
[M+NH4]+ 200.136913 155.7
[M+K]+ 221.066248 141.4
[M+H-H2O]+ 165.100350 129.0
[M+HCOO]- 227.101291 152.8
[M+CH3COO]- 241.116941 182.2
[M+Na-2H]- 203.077756 141.3
[M]+ 182.10254142 127.5
[M]- 182.10363858 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