CID 11622348

(3-methoxy-1-methyl-1h-pyrazol-4-yl)methanol

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

CN1C=C(C(=N1)OC)CO

InChI

InChI=1S/C6H10N2O2/c1-8-3-5(4-9)6(7-8)10-2/h3,9H,4H2,1-2H3

InChIKey

INMQDURGNQFXFO-UHFFFAOYSA-N

Compound name

(3-methoxy-1-methylpyrazol-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 142.07423 Da
Monoisotopic Mass: -0.3
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]+	143.08151	128.1
[M+Na]+	165.06345	139.4
[M+NH4]+	160.10805	135.3
[M+K]+	181.03739	136.5
[M-H]-	141.06695	127.4
[M+Na-2H]-	163.04890	132.7
[M]+	142.07368	129.2
[M]-	142.07478	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe