CID 86715189

(3-methoxypyridazin-4-yl)methanol

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

COC1=C(C=CN=N1)CO

InChI

InChI=1S/C6H8N2O2/c1-10-6-5(4-9)2-3-7-8-6/h2-3,9H,4H2,1H3

InChIKey

MYRACUIRKNOXQE-UHFFFAOYSA-N

Compound name

(3-methoxypyridazin-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 140.05858 Da
Monoisotopic Mass: -0.7
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]+	141.06586	126.4
[M+Na]+	163.04780	139.4
[M+NH4]+	158.09240	133.9
[M+K]+	179.02174	134.0
[M-H]-	139.05130	126.6
[M+Na-2H]-	161.03325	133.2
[M]+	140.05803	128.1
[M]-	140.05913	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe