CID 60728056

3,8-dimethyl-5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyrazine

Structural Information

Molecular Formula
C7H12N4
SMILES
CC1C2=NN=C(N2CCN1)C
InChI
InChI=1S/C7H12N4/c1-5-7-10-9-6(2)11(7)4-3-8-5/h5,8H,3-4H2,1-2H3
InChIKey
WJXSFSALUZCCJQ-UHFFFAOYSA-N
Compound name
3,8-dimethyl-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

8
Patents

152.1062 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.11348 133.4
[M+Na]+ 175.09542 145.2
[M+NH4]+ 170.14002 141.1
[M+K]+ 191.06936 141.4
[M-H]- 151.09892 132.9
[M+Na-2H]- 173.08087 137.5
[M]+ 152.10565 134.7
[M]- 152.10675 134.7
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