CID 68059397

2,3-dimethyl-6,7-dihydro-5h-indazol-4-one

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: 3
Patents: 164.09496 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe