CID 24853638

1027617-67-9

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

CN1C=C2C(=N1)CCCC2=O

InChI

InChI=1S/C8H10N2O/c1-10-5-6-7(9-10)3-2-4-8(6)11/h5H,2-4H2,1H3

InChIKey

YWNDIIRXPSEINS-UHFFFAOYSA-N

Compound name

2-methyl-6,7-dihydro-5H-indazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 150.07932 Da
Monoisotopic Mass: 0.4
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]+	151.08660	129.8
[M+Na]+	173.06854	139.2
[M-H]-	149.07204	131.8
[M+NH4]+	168.11314	151.5
[M+K]+	189.04248	137.0
[M+H-H2O]+	133.07658	123.2
[M+HCOO]-	195.07752	150.3
[M+CH3COO]-	209.09317	175.2
[M+Na-2H]-	171.05399	135.6
[M]+	150.07877	128.5
[M]-	150.07987	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe