CID 75466421

1443978-99-1

Structural Information

Molecular Formula
C7H6N4O3
SMILES
CC1=CN2C(=C(N=N2)C(=O)O)C(=O)N1
InChI
InChI=1S/C7H6N4O3/c1-3-2-11-5(6(12)8-3)4(7(13)14)9-10-11/h2H,1H3,(H,8,12)(H,13,14)
InChIKey
PDMSZJSZLNINLN-UHFFFAOYSA-N
Compound name
6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 195.051266 137.5
[M+Na]+ 217.033208 150.2
[M-H]- 193.036714 135.8
[M+NH4]+ 212.077813 153.5
[M+K]+ 233.007148 146.4
[M+H-H2O]+ 177.041250 130.3
[M+HCOO]- 239.042191 156.4
[M+CH3COO]- 253.057841 177.8
[M+Na-2H]- 215.018656 143.8
[M]+ 194.04344142 139.5
[M]- 194.04453858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.