CID 12915977

6-methoxy-1h-indazol-3-ol

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

COC1=CC2=C(C=C1)C(=O)NN2

InChI

InChI=1S/C8H8N2O2/c1-12-5-2-3-6-7(4-5)9-10-8(6)11/h2-4H,1H3,(H2,9,10,11)

InChIKey

BSMAHLLCCMSTGQ-UHFFFAOYSA-N

Compound name

6-methoxy-1,2-dihydroindazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 164.05858 Da
Monoisotopic Mass: 1.1
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]+	165.06586	129.7
[M+Na]+	187.04780	141.2
[M-H]-	163.05130	130.1
[M+NH4]+	182.09240	149.7
[M+K]+	203.02174	137.1
[M+H-H2O]+	147.05584	123.6
[M+HCOO]-	209.05678	151.7
[M+CH3COO]-	223.07243	143.7
[M+Na-2H]-	185.03325	137.7
[M]+	164.05803	130.5
[M]-	164.05913	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe