CID 18406955

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

Structural Information

Molecular Formula
C6H10N4
SMILES
CC1=NN2CCNCC2=N1
InChI
InChI=1S/C6H10N4/c1-5-8-6-4-7-2-3-10(6)9-5/h7H,2-4H2,1H3
InChIKey
XJQLZEZGFIWRKF-UHFFFAOYSA-N
Compound name
2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

138.09055 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.097826 129.6
[M+Na]+ 161.079768 138.3
[M-H]- 137.083274 127.1
[M+NH4]+ 156.124373 148.0
[M+K]+ 177.053708 135.6
[M+H-H2O]+ 121.087810 121.4
[M+HCOO]- 183.088751 146.1
[M+CH3COO]- 197.104401 141.6
[M+Na-2H]- 159.065216 136.2
[M]+ 138.09000142 125.7
[M]- 138.09109858 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

No literature data available for this compound.

Patent stripe

patents stripe