CID 2782146

5-(dimethoxymethyl)-1h-pyrazole

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

COC(C1=CC=NN1)OC

InChI

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

InChIKey

ZAZJHNVEFWBJFV-UHFFFAOYSA-N

Compound name

5-(dimethoxymethyl)-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 142.07423 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]+	143.08151	128.1
[M+Na]+	165.06345	135.9
[M-H]-	141.06695	127.7
[M+NH4]+	160.10805	147.9
[M+K]+	181.03739	135.5
[M+H-H2O]+	125.07149	121.3
[M+HCOO]-	187.07243	149.7
[M+CH3COO]-	201.08808	170.0
[M+Na-2H]-	163.04890	133.7
[M]+	142.07368	129.0
[M]-	142.07478	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe