CID 24728230

Methyl 3-formyl-1h-indazole-6-carboxylate

Structural Information

Molecular Formula
C10H8N2O3
SMILES
COC(=O)C1=CC2=NNC(=C2C=C1)C=O
InChI
InChI=1S/C10H8N2O3/c1-15-10(14)6-2-3-7-8(4-6)11-12-9(7)5-13/h2-5H,1H3,(H,11,12)
InChIKey
NIODGFZSWUWOGF-UHFFFAOYSA-N
Compound name
methyl 3-formyl-2H-indazole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

204.0535 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 140.4
[M+Na]+ 227.04272 151.3
[M-H]- 203.04622 142.0
[M+NH4]+ 222.08732 159.2
[M+K]+ 243.01666 148.1
[M+H-H2O]+ 187.05076 133.7
[M+HCOO]- 249.05170 162.6
[M+CH3COO]- 263.06735 181.2
[M+Na-2H]- 225.02817 146.6
[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

patents stripe