CID 165605534

En300-1708980

Structural Information

Molecular Formula
C10H8N2O3
SMILES
CC1=CC=CN2C1=C(C(=N2)C(=O)O)C=O
InChI
InChI=1S/C10H8N2O3/c1-6-3-2-4-12-9(6)7(5-13)8(11-12)10(14)15/h2-5H,1H3,(H,14,15)
InChIKey
JYWQYTHQLPXPJM-UHFFFAOYSA-N
Compound name
3-formyl-4-methylpyrazolo[1,5-a]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.0535 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 139.9
[M+Na]+ 227.04272 151.7
[M-H]- 203.04622 141.8
[M+NH4]+ 222.08732 159.0
[M+K]+ 243.01666 148.5
[M+H-H2O]+ 187.05076 133.5
[M+HCOO]- 249.05170 162.1
[M+CH3COO]- 263.06735 183.1
[M+Na-2H]- 225.02817 145.4
[M]+ 204.05295 143.8
[M]- 204.05405 143.8
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.