CID 22477842

5-methyl-1h-indazole-3-carbaldehyde

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC1=CC2=C(NN=C2C=C1)C=O
InChI
InChI=1S/C9H8N2O/c1-6-2-3-8-7(4-6)9(5-12)11-10-8/h2-5H,1H3,(H,10,11)
InChIKey
YANNNIQPHXCXGE-UHFFFAOYSA-N
Compound name
5-methyl-2H-indazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

160.06366 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 130.2
[M+Na]+ 183.05288 141.9
[M-H]- 159.05638 131.9
[M+NH4]+ 178.09748 151.2
[M+K]+ 199.02682 137.9
[M+H-H2O]+ 143.06092 123.9
[M+HCOO]- 205.06186 153.3
[M+CH3COO]- 219.07751 144.7
[M+Na-2H]- 181.03833 138.2
[M]+ 160.06311 131.9
[M]- 160.06421 131.9
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