CID 21032425

7-methyl-1h-indazole-3-carbaldehyde

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC1=CC=CC2=C(NN=C12)C=O
InChI
InChI=1S/C9H8N2O/c1-6-3-2-4-7-8(5-12)10-11-9(6)7/h2-5H,1H3,(H,10,11)
InChIKey
ZAOWDKPCEJINJP-UHFFFAOYSA-N
Compound name
7-methyl-2H-indazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

160.06366 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 130.2
[M+Na]+ 183.052878 141.9
[M-H]- 159.056384 131.9
[M+NH4]+ 178.097483 151.2
[M+K]+ 199.026818 137.9
[M+H-H2O]+ 143.060920 123.9
[M+HCOO]- 205.061861 153.3
[M+CH3COO]- 219.077511 144.7
[M+Na-2H]- 181.038326 138.2
[M]+ 160.06311142 131.9
[M]- 160.06420858 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