CID 69363923

5,6,7,8-tetrahydro-6-methyl-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazine

Structural Information

Molecular Formula
C7H9F3N4
SMILES
CC1CN2C(=NN=C2C(F)(F)F)CN1
InChI
InChI=1S/C7H9F3N4/c1-4-3-14-5(2-11-4)12-13-6(14)7(8,9)10/h4,11H,2-3H2,1H3
InChIKey
IHUNMXWBWPGWCX-UHFFFAOYSA-N
Compound name
6-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

206.07793 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08521 143.4
[M+Na]+ 229.06715 153.2
[M-H]- 205.07065 137.5
[M+NH4]+ 224.11175 159.4
[M+K]+ 245.04109 149.2
[M+H-H2O]+ 189.07519 133.2
[M+HCOO]- 251.07613 154.7
[M+CH3COO]- 265.09178 182.2
[M+Na-2H]- 227.05260 147.7
[M]+ 206.07738 136.3
[M]- 206.07848 136.3
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