CID 66846312

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

Structural Information

Molecular Formula
C6H10N4
SMILES
CC1C2=NN=CN2CCN1
InChI
InChI=1S/C6H10N4/c1-5-6-9-8-4-10(6)3-2-7-5/h4-5,7H,2-3H2,1H3
InChIKey
VSGTYKAWVBDDOE-UHFFFAOYSA-N
Compound name
8-methyl-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

29
Patents

138.09055 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.09783 129.6
[M+Na]+ 161.07977 138.3
[M-H]- 137.08327 127.1
[M+NH4]+ 156.12437 148.0
[M+K]+ 177.05371 135.6
[M+H-H2O]+ 121.08781 121.4
[M+HCOO]- 183.08875 146.1
[M+CH3COO]- 197.10440 141.6
[M+Na-2H]- 159.06522 136.2
[M]+ 138.09000 125.7
[M]- 138.09110 125.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe