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

9
Patents

152.1062 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.113476 134.6
[M+Na]+ 175.095418 143.9
[M-H]- 151.098924 132.4
[M+NH4]+ 170.140023 152.8
[M+K]+ 191.069358 140.8
[M+H-H2O]+ 135.103460 126.6
[M+HCOO]- 197.104401 150.8
[M+CH3COO]- 211.120051 146.6
[M+Na-2H]- 173.080866 140.0
[M]+ 152.10565142 131.5
[M]- 152.10674858 131.5
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

patents stripe