CID 165993356

Refchem:813599

Structural Information

Molecular Formula
C11H12N2O3
SMILES
COC1=CC2=NNC(=C2C=C1)CC(=O)OC
InChI
InChI=1S/C11H12N2O3/c1-15-7-3-4-8-9(5-7)12-13-10(8)6-11(14)16-2/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey
OAIUXDRDFSDHMD-UHFFFAOYSA-N
Compound name
methyl 2-(6-methoxy-2H-indazol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0848 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.092076 146.1
[M+Na]+ 243.074018 156.3
[M-H]- 219.077524 147.5
[M+NH4]+ 238.118623 164.4
[M+K]+ 259.047958 153.5
[M+H-H2O]+ 203.082060 139.2
[M+HCOO]- 265.083001 167.9
[M+CH3COO]- 279.098651 185.0
[M+Na-2H]- 241.059466 151.8
[M]+ 220.08425142 150.6
[M]- 220.08534858 150.6
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.