CID 68059397

1356596-20-7

Structural Information

Molecular Formula
C9H12N2O
SMILES
CC1=C2C(=NN1C)CCCC2=O
InChI
InChI=1S/C9H12N2O/c1-6-9-7(10-11(6)2)4-3-5-8(9)12/h3-5H2,1-2H3
InChIKey
DQQWMHHWJGOMLF-UHFFFAOYSA-N
Compound name
2,3-dimethyl-6,7-dihydro-5H-indazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

164.09496 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 134.2
[M+Na]+ 187.084178 144.1
[M-H]- 163.087684 136.4
[M+NH4]+ 182.128783 155.7
[M+K]+ 203.058118 141.7
[M+H-H2O]+ 147.092220 127.8
[M+HCOO]- 209.093161 154.4
[M+CH3COO]- 223.108811 179.3
[M+Na-2H]- 185.069626 138.8
[M]+ 164.09441142 133.7
[M]- 164.09550858 133.7
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