CID 59191718

1601153-51-8

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

CC(C)C1=CC2=C(C=C1)NNC2=O

InChI

InChI=1S/C10H12N2O/c1-6(2)7-3-4-9-8(5-7)10(13)12-11-9/h3-6H,1-2H3,(H2,11,12,13)

InChIKey

JHKPXEOXGORMSV-UHFFFAOYSA-N

Compound name

5-propan-2-yl-1,2-dihydroindazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 176.09496 Da
Monoisotopic Mass: 2.3
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]+	177.10224	136.4
[M+Na]+	199.08418	146.9
[M-H]-	175.08768	136.6
[M+NH4]+	194.12878	156.0
[M+K]+	215.05812	142.2
[M+H-H2O]+	159.09222	130.2
[M+HCOO]-	221.09316	156.5
[M+CH3COO]-	235.10881	176.1
[M+Na-2H]-	197.06963	142.0
[M]+	176.09441	135.9
[M]-	176.09551	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe