CID 37818596

1-methyl-1h-indazole-6-carbaldehyde

Structural Information

Molecular Formula
C9H8N2O
SMILES
CN1C2=C(C=CC(=C2)C=O)C=N1
InChI
InChI=1S/C9H8N2O/c1-11-9-4-7(6-12)2-3-8(9)5-10-11/h2-6H,1H3
InChIKey
YVMQGPATHPKGOU-UHFFFAOYSA-N
Compound name
1-methylindazole-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

160.06366 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 129.5
[M+Na]+ 183.052878 141.6
[M-H]- 159.056384 132.5
[M+NH4]+ 178.097483 151.2
[M+K]+ 199.026818 138.6
[M+H-H2O]+ 143.060920 122.9
[M+HCOO]- 205.061861 154.1
[M+CH3COO]- 219.077511 177.3
[M+Na-2H]- 181.038326 137.9
[M]+ 160.06311142 133.0
[M]- 160.06420858 133.0
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