CID 657436

63446-38-8

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

CC1=C2C(=NN1)CCCC2=O

InChI

InChI=1S/C8H10N2O/c1-5-8-6(10-9-5)3-2-4-7(8)11/h2-4H2,1H3,(H,9,10)

InChIKey

VROXGINCMQLXRS-UHFFFAOYSA-N

Compound name

3-methyl-2,5,6,7-tetrahydroindazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 31
Patents: 150.07932 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]+	151.08660	131.0
[M+Na]+	173.06854	142.7
[M+NH4]+	168.11314	139.5
[M+K]+	189.04248	138.6
[M-H]-	149.07204	131.5
[M+Na-2H]-	171.05399	135.3
[M]+	150.07877	132.5
[M]-	150.07987	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe