CID 676511

5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

Structural Information

Molecular Formula
C8H8N4O2
SMILES
CC1=CC(=NC2=NC(=NN12)C(=O)O)C
InChI
InChI=1S/C8H8N4O2/c1-4-3-5(2)12-8(9-4)10-6(11-12)7(13)14/h3H,1-2H3,(H,13,14)
InChIKey
LIVBNPDDJKFYDF-UHFFFAOYSA-N
Compound name
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

30
Patents

192.06473 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.072006 139.2
[M+Na]+ 215.053948 151.8
[M-H]- 191.057454 138.6
[M+NH4]+ 210.098553 156.1
[M+K]+ 231.027888 148.6
[M+H-H2O]+ 175.061990 131.6
[M+HCOO]- 237.062931 158.9
[M+CH3COO]- 251.078581 181.7
[M+Na-2H]- 213.039396 145.4
[M]+ 192.06418142 142.6
[M]- 192.06527858 142.6
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