CID 119135682

Methyl 5-methoxy-6-methylpyridine-3-carboxylate

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

CC1=C(C=C(C=N1)C(=O)OC)OC

InChI

InChI=1S/C9H11NO3/c1-6-8(12-2)4-7(5-10-6)9(11)13-3/h4-5H,1-3H3

InChIKey

WISKZVWIJHWQNS-UHFFFAOYSA-N

Compound name

methyl 5-methoxy-6-methylpyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 181.0739 Da
Monoisotopic Mass: 1.1
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]+	182.08118	135.5
[M+Na]+	204.06312	144.8
[M-H]-	180.06662	138.5
[M+NH4]+	199.10772	154.7
[M+K]+	220.03706	144.4
[M+H-H2O]+	164.07116	129.2
[M+HCOO]-	226.07210	158.7
[M+CH3COO]-	240.08775	181.6
[M+Na-2H]-	202.04857	141.3
[M]+	181.07335	139.7
[M]-	181.07445	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe