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 134.6
[M+Na]+ 175.09542 143.9
[M-H]- 151.09892 132.4
[M+NH4]+ 170.14002 152.8
[M+K]+ 191.06936 140.8
[M+H-H2O]+ 135.10346 126.6
[M+HCOO]- 197.10440 150.8
[M+CH3COO]- 211.12005 146.6
[M+Na-2H]- 173.08087 140.0
[M]+ 152.10565 131.5
[M]- 152.10675 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