CID 73994629

[8-(trifluoromethyl)-5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine

Structural Information

Molecular Formula
C8H11F3N4
SMILES
C1CC(C2=NN=C(N2C1)CN)C(F)(F)F
InChI
InChI=1S/C8H11F3N4/c9-8(10,11)5-2-1-3-15-6(4-12)13-14-7(5)15/h5H,1-4,12H2
InChIKey
CHNSMJPAYBYFIK-UHFFFAOYSA-N
Compound name
[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.09358 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10086 145.6
[M+Na]+ 243.08280 154.4
[M-H]- 219.08630 141.7
[M+NH4]+ 238.12740 162.5
[M+K]+ 259.05674 150.8
[M+H-H2O]+ 203.09084 135.5
[M+HCOO]- 265.09178 159.9
[M+CH3COO]- 279.10743 189.0
[M+Na-2H]- 241.06825 149.7
[M]+ 220.09303 138.5
[M]- 220.09413 138.5
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

No patent data available for this compound.