CID 1132972

842972-32-1

Structural Information

Molecular Formula
C8H8N4O2
SMILES
CC1=CC(=NC2=NN=C(N12)C(=O)O)C
InChI
InChI=1S/C8H8N4O2/c1-4-3-5(2)12-6(7(13)14)10-11-8(12)9-4/h3H,1-2H3,(H,13,14)
InChIKey
YFTGQBVYIOJXMV-UHFFFAOYSA-N
Compound name
5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.06473 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07201 139.3
[M+Na]+ 215.05395 152.6
[M+NH4]+ 210.09855 145.4
[M+K]+ 231.02789 150.1
[M-H]- 191.05745 137.9
[M+Na-2H]- 213.03940 144.1
[M]+ 192.06418 140.5
[M]- 192.06528 140.5
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.