CID 27274683

Methyl 3-formyl-1h-indazole-5-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
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

literature stripe

Patent stripe

patents stripe