CID 657476

Methyl 1h-indazole-3-carboxylate

Structural Information

Molecular Formula
C9H8N2O2
SMILES
COC(=O)C1=NNC2=CC=CC=C21
InChI
InChI=1S/C9H8N2O2/c1-13-9(12)8-6-4-2-3-5-7(6)10-11-8/h2-5H,1H3,(H,10,11)
InChIKey
KWTCVAHCQGKXAZ-UHFFFAOYSA-N
Compound name
methyl 1H-indazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

476
Patents

176.05858 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.065856 134.0
[M+Na]+ 199.047798 144.4
[M-H]- 175.051304 135.4
[M+NH4]+ 194.092403 153.9
[M+K]+ 215.021738 141.5
[M+H-H2O]+ 159.055840 127.3
[M+HCOO]- 221.056781 156.3
[M+CH3COO]- 235.072431 175.7
[M+Na-2H]- 197.033246 141.5
[M]+ 176.05803142 136.0
[M]- 176.05912858 136.0
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