CID 3108028

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

Structural Information

Molecular Formula
C7H6N4O3
SMILES
CC1=NC2=NC=C(C(=O)N2N1)C(=O)O
InChI
InChI=1S/C7H6N4O3/c1-3-9-7-8-2-4(6(13)14)5(12)11(7)10-3/h2H,1H3,(H,13,14)(H,8,9,10)
InChIKey
GRFFCRIIYZSEAF-UHFFFAOYSA-N
Compound name
2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

194.04399 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05127 137.5
[M+Na]+ 217.03321 150.2
[M-H]- 193.03671 135.8
[M+NH4]+ 212.07781 153.5
[M+K]+ 233.00715 146.4
[M+H-H2O]+ 177.04125 130.3
[M+HCOO]- 239.04219 156.4
[M+CH3COO]- 253.05784 177.8
[M+Na-2H]- 215.01866 143.8
[M]+ 194.04344 139.5
[M]- 194.04454 139.5
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

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