CID 14224559

3,5-dimethoxy-1h-pyrazole

Structural Information

Molecular Formula

C₅H₈N₂O₂

SMILES

COC1=CC(=NN1)OC

InChI

InChI=1S/C5H8N2O2/c1-8-4-3-5(9-2)7-6-4/h3H,1-2H3,(H,6,7)

InChIKey

QXXCDDWJKVBBAF-UHFFFAOYSA-N

Compound name

3,5-dimethoxy-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 128.05858 Da
Monoisotopic Mass: 0.8
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]+	129.06586	122.7
[M+Na]+	151.04780	132.2
[M-H]-	127.05130	122.8
[M+NH4]+	146.09240	143.5
[M+K]+	167.02174	131.5
[M+H-H2O]+	111.05584	116.3
[M+HCOO]-	173.05678	145.6
[M+CH3COO]-	187.07243	167.2
[M+Na-2H]-	149.03325	129.4
[M]+	128.05803	124.2
[M]-	128.05913	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe