CID 14126679

1,5,6,7-tetrahydro-1,3-dimethyl-4h-indazol-4-one

Structural Information

Molecular Formula
C9H12N2O
SMILES
CC1=NN(C2=C1C(=O)CCC2)C
InChI
InChI=1S/C9H12N2O/c1-6-9-7(11(2)10-6)4-3-5-8(9)12/h3-5H2,1-2H3
InChIKey
KVIYWNOWYQFRMF-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6,7-dihydro-5H-indazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

164.09496 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 134.9
[M+Na]+ 187.08418 147.3
[M+NH4]+ 182.12878 143.6
[M+K]+ 203.05812 142.8
[M-H]- 163.08768 135.9
[M+Na-2H]- 185.06963 139.3
[M]+ 164.09441 136.8
[M]- 164.09551 136.8
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