CID 23079319

4-methoxy-3,5-dimethylpicolinaldehyde

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CC1=CN=C(C(=C1OC)C)C=O

InChI

InChI=1S/C9H11NO2/c1-6-4-10-8(5-11)7(2)9(6)12-3/h4-5H,1-3H3

InChIKey

NDJIJFXLFOPISB-UHFFFAOYSA-N

Compound name

4-methoxy-3,5-dimethylpyridine-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 165.07898 Da
Monoisotopic Mass: 1.3
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]+	166.08626	133.4
[M+Na]+	188.06820	147.4
[M+NH4]+	183.11280	141.4
[M+K]+	204.04214	141.1
[M-H]-	164.07170	134.9
[M+Na-2H]-	186.05365	140.1
[M]+	165.07843	135.8
[M]-	165.07953	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe