CID 57440996

3-methoxy-1-methyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

CN1C=C(C(=N1)OC)C=O

InChI

InChI=1S/C6H8N2O2/c1-8-3-5(4-9)6(7-8)10-2/h3-4H,1-2H3

InChIKey

QIDULJWOAIZUJH-UHFFFAOYSA-N

Compound name

3-methoxy-1-methylpyrazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 140.05858 Da
Monoisotopic Mass: 0.0
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	127.0
[M+Na]+	163.04780	138.9
[M+NH4]+	158.09240	134.3
[M+K]+	179.02174	135.7
[M-H]-	139.05130	126.7
[M+Na-2H]-	161.03325	132.2
[M]+	140.05803	128.4
[M]-	140.05913	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe