CID 80630877

1520947-24-3

Structural Information

Molecular Formula
C12H13N5O2
SMILES
CC1=CC(=CN=C1N2CCN3C=NN=C3C2)C(=O)O
InChI
InChI=1S/C12H13N5O2/c1-8-4-9(12(18)19)5-13-11(8)16-2-3-17-7-14-15-10(17)6-16/h4-5,7H,2-3,6H2,1H3,(H,18,19)
InChIKey
UMDAPOSXGHKGFY-UHFFFAOYSA-N
Compound name
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.10693 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.11421 160.2
[M+Na]+ 282.09615 169.1
[M-H]- 258.09965 160.2
[M+NH4]+ 277.14075 172.0
[M+K]+ 298.07009 164.5
[M+H-H2O]+ 242.10419 150.0
[M+HCOO]- 304.10513 174.1
[M+CH3COO]- 318.12078 170.1
[M+Na-2H]- 280.08160 163.4
[M]+ 259.10638 158.6
[M]- 259.10748 158.6
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.