CID 75452625

4,5-dimethyl-4h,7h-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

Structural Information

Molecular Formula
C8H10N4O2
SMILES
CC1=C(CN2C(=NC=N2)N1C)C(=O)O
InChI
InChI=1S/C8H10N4O2/c1-5-6(7(13)14)3-12-8(11(5)2)9-4-10-12/h4H,3H2,1-2H3,(H,13,14)
InChIKey
GYNJQGQQKIBROE-UHFFFAOYSA-N
Compound name
4,5-dimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

194.08037 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.087646 142.1
[M+Na]+ 217.069588 152.6
[M-H]- 193.073094 140.8
[M+NH4]+ 212.114193 158.7
[M+K]+ 233.043528 150.0
[M+H-H2O]+ 177.077630 134.4
[M+HCOO]- 239.078571 159.0
[M+CH3COO]- 253.094221 182.3
[M+Na-2H]- 215.055036 146.3
[M]+ 194.07982142 142.7
[M]- 194.08091858 142.7
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