CID 55263567

1-methyl-4,5,6,7-tetrahydro-1h-indazol-6-one hydrochloride

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

CN1C2=C(CCC(=O)C2)C=N1

InChI

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

InChIKey

IUBFSVFYJRXNBU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 150.07932 Da
Monoisotopic Mass: -0.1
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]+	151.086596	129.8
[M+Na]+	173.068538	139.2
[M-H]-	149.072044	131.8
[M+NH4]+	168.113143	151.5
[M+K]+	189.042478	137.0
[M+H-H2O]+	133.076580	123.2
[M+HCOO]-	195.077521	150.3
[M+CH3COO]-	209.093171	175.2
[M+Na-2H]-	171.053986	135.6
[M]+	150.07877142	128.5
[M]-	150.07986858	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe