CID 4778234

1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine

Structural Information

Molecular Formula
C11H14F3N3
SMILES
C1CN(CCC1N)C2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C11H14F3N3/c12-11(13,14)8-1-2-10(16-7-8)17-5-3-9(15)4-6-17/h1-2,7,9H,3-6,15H2
InChIKey
DAVHQAOEZPKBPV-UHFFFAOYSA-N
Compound name
1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

245.11398 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.121256 154.0
[M+Na]+ 268.103198 160.6
[M-H]- 244.106704 153.0
[M+NH4]+ 263.147803 167.9
[M+K]+ 284.077138 156.2
[M+H-H2O]+ 228.111240 143.0
[M+HCOO]- 290.112181 167.9
[M+CH3COO]- 304.127831 193.7
[M+Na-2H]- 266.088646 157.4
[M]+ 245.11343142 143.8
[M]- 245.11452858 143.8
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