CID 81584865

2378503-86-5

Structural Information

Molecular Formula
C8H8N4O2
SMILES
CC1=NC2=NC(=NN2C(=C1)C(=O)O)C
InChI
InChI=1S/C8H8N4O2/c1-4-3-6(7(13)14)12-8(9-4)10-5(2)11-12/h3H,1-2H3,(H,13,14)
InChIKey
OYEGUUOEEXZAPH-UHFFFAOYSA-N
Compound name
2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.