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]+ 195.08765 142.1
[M+Na]+ 217.06959 152.6
[M-H]- 193.07309 140.8
[M+NH4]+ 212.11419 158.7
[M+K]+ 233.04353 150.0
[M+H-H2O]+ 177.07763 134.4
[M+HCOO]- 239.07857 159.0
[M+CH3COO]- 253.09422 182.3
[M+Na-2H]- 215.05504 146.3
[M]+ 194.07982 142.7
[M]- 194.08092 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