CID 135590726

7-methyl-s-triazolo(4,3-c)pyrimidin-5-ol

Structural Information

Molecular Formula
C6H6N4O
SMILES
CC1=CC2=NN=CN2C(=O)N1
InChI
InChI=1S/C6H6N4O/c1-4-2-5-9-7-3-10(5)6(11)8-4/h2-3H,1H3,(H,8,11)
InChIKey
ZYGUFYVPSWAMKD-UHFFFAOYSA-N
Compound name
7-methyl-6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

150.05415 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.061426 127.2
[M+Na]+ 173.043368 140.2
[M-H]- 149.046874 126.4
[M+NH4]+ 168.087973 145.8
[M+K]+ 189.017308 136.5
[M+H-H2O]+ 133.051410 119.7
[M+HCOO]- 195.052351 148.4
[M+CH3COO]- 209.068001 141.3
[M+Na-2H]- 171.028816 136.3
[M]+ 150.05360142 128.8
[M]- 150.05469858 128.8
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