CID 83383385

2-methyl-4,5,6,7-tetrahydro-2h-indazole-3-carbaldehyde

Structural Information

Molecular Formula
C9H12N2O
SMILES
CN1C(=C2CCCCC2=N1)C=O
InChI
InChI=1S/C9H12N2O/c1-11-9(6-12)7-4-2-3-5-8(7)10-11/h6H,2-5H2,1H3
InChIKey
VDSJGZYGIJMINS-UHFFFAOYSA-N
Compound name
2-methyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.09496 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 135.1
[M+Na]+ 187.08418 147.1
[M+NH4]+ 182.12878 143.8
[M+K]+ 203.05812 142.5
[M-H]- 163.08768 136.0
[M+Na-2H]- 185.06963 139.7
[M]+ 164.09441 136.9
[M]- 164.09551 136.9
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

No patent data available for this compound.