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)pyridin-2-yl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

245.11398 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12126 154.0
[M+Na]+ 268.10320 160.6
[M-H]- 244.10670 153.0
[M+NH4]+ 263.14780 167.9
[M+K]+ 284.07714 156.2
[M+H-H2O]+ 228.11124 143.0
[M+HCOO]- 290.11218 167.9
[M+CH3COO]- 304.12783 193.7
[M+Na-2H]- 266.08865 157.4
[M]+ 245.11343 143.8
[M]- 245.11453 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