CID 136316570

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

Structural Information

Molecular Formula
C6H10N4
SMILES
CC1CNC2=NC=NN2C1
InChI
InChI=1S/C6H10N4/c1-5-2-7-6-8-4-9-10(6)3-5/h4-5H,2-3H2,1H3,(H,7,8,9)
InChIKey
DQEATIOSWBTXDG-UHFFFAOYSA-N
Compound name
6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.09055 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.