CID 581065

5-methoxy-1,3-dimethyl-1h-pyrazole

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CC1=NN(C(=C1)OC)C

InChI

InChI=1S/C6H10N2O/c1-5-4-6(9-3)8(2)7-5/h4H,1-3H3

InChIKey

QGVNQBGVRVIBMA-UHFFFAOYSA-N

Compound name

5-methoxy-1,3-dimethylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 126.079315 Da
Monoisotopic Mass: 0.9
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]+	127.08659	123.0
[M+Na]+	149.06853	133.6
[M-H]-	125.07204	124.7
[M+NH4]+	144.11314	145.0
[M+K]+	165.04247	133.1
[M+H-H2O]+	109.07658	116.8
[M+HCOO]-	171.07752	146.9
[M+CH3COO]-	185.09317	172.1
[M+Na-2H]-	147.05398	129.1
[M]+	126.07877	125.8
[M]-	126.07986	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe