CID 14366580

85871-91-6

Structural Information

Molecular Formula
C6H6N4O
SMILES
CC1=NC2=NC=CC(=O)N2N1
InChI
InChI=1S/C6H6N4O/c1-4-8-6-7-3-2-5(11)10(6)9-4/h2-3H,1H3,(H,7,8,9)
InChIKey
DHHATAVQBKRQAK-UHFFFAOYSA-N
Compound name
2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

294
Patents

150.05415 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06143 127.2
[M+Na]+ 173.04337 141.5
[M+NH4]+ 168.08797 134.4
[M+K]+ 189.01731 137.8
[M-H]- 149.04687 126.5
[M+Na-2H]- 171.02882 133.7
[M]+ 150.05360 128.9
[M]- 150.05470 128.9
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