CID 14838150

127067-18-9

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CC1=NC(=C(C=C1)C(=O)OC)C

InChI

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

InChIKey

CCMDYJLHJDTZOK-UHFFFAOYSA-N

Compound name

methyl 2,6-dimethylpyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 165.07898 Da
Monoisotopic Mass: 1.5
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]+	166.086256	132.4
[M+Na]+	188.068198	141.8
[M-H]-	164.071704	135.4
[M+NH4]+	183.112803	152.3
[M+K]+	204.042138	140.8
[M+H-H2O]+	148.076240	126.3
[M+HCOO]-	210.077181	155.4
[M+CH3COO]-	224.092831	179.6
[M+Na-2H]-	186.053646	138.2
[M]+	165.07843142	135.1
[M]-	165.07952858	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe