CID 10080895

5-methoxy-1h-indazole-3-carbaldehyde

Structural Information

Molecular Formula
C9H8N2O2
SMILES
COC1=CC2=C(NN=C2C=C1)C=O
InChI
InChI=1S/C9H8N2O2/c1-13-6-2-3-8-7(4-6)9(5-12)11-10-8/h2-5H,1H3,(H,10,11)
InChIKey
MUSWNKMMIYVNJY-UHFFFAOYSA-N
Compound name
5-methoxy-2H-indazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

176.05858 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 133.3
[M+Na]+ 199.04780 144.8
[M-H]- 175.05130 134.9
[M+NH4]+ 194.09240 153.5
[M+K]+ 215.02174 141.4
[M+H-H2O]+ 159.05584 126.7
[M+HCOO]- 221.05678 156.5
[M+CH3COO]- 235.07243 176.7
[M+Na-2H]- 197.03325 141.2
[M]+ 176.05803 136.3
[M]- 176.05913 136.3
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