CID 13036517

6-ethoxy-4,5-dihydro-2h-indazole

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CCOC1=CC2=C(CC1)C=NN2

InChI

InChI=1S/C9H12N2O/c1-2-12-8-4-3-7-6-10-11-9(7)5-8/h5-6H,2-4H2,1H3,(H,10,11)

InChIKey

FDJPZJCDCKZDAU-UHFFFAOYSA-N

Compound name

6-ethoxy-4,5-dihydro-1H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 164.09496 Da
Monoisotopic Mass: 1.4
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	134.6
[M+Na]+	187.08418	146.6
[M+NH4]+	182.12878	143.2
[M+K]+	203.05812	141.9
[M-H]-	163.08768	135.4
[M+Na-2H]-	185.06963	139.9
[M]+	164.09441	136.4
[M]-	164.09551	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe