CID 71757723

1427381-11-0

Structural Information

Molecular Formula
C8H12F2N4
SMILES
C1CC2=NN=C(N2CC1CN)C(F)F
InChI
InChI=1S/C8H12F2N4/c9-7(10)8-13-12-6-2-1-5(3-11)4-14(6)8/h5,7H,1-4,11H2
InChIKey
TVXXXCINSMRGOP-UHFFFAOYSA-N
Compound name
[3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.103 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11028 141.8
[M+Na]+ 225.09222 149.8
[M-H]- 201.09572 139.0
[M+NH4]+ 220.13682 159.2
[M+K]+ 241.06616 146.7
[M+H-H2O]+ 185.10026 132.0
[M+HCOO]- 247.10120 157.8
[M+CH3COO]- 261.11685 187.3
[M+Na-2H]- 223.07767 144.6
[M]+ 202.10245 135.8
[M]- 202.10355 135.8
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

No patent data available for this compound.