CID 155482130

Methyl5-ethynyl-3-methylpyridine-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

CC1=CC(=CN=C1C(=O)OC)C#C

InChI

InChI=1S/C10H9NO2/c1-4-8-5-7(2)9(11-6-8)10(12)13-3/h1,5-6H,2-3H3

InChIKey

GMIIMNGZQPCFNU-UHFFFAOYSA-N

Compound name

methyl 5-ethynyl-3-methylpyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 175.06332 Da
Monoisotopic Mass: 1.6
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]+	176.07060	134.7
[M+Na]+	198.05254	145.8
[M-H]-	174.05604	135.9
[M+NH4]+	193.09714	151.8
[M+K]+	214.02648	142.9
[M+H-H2O]+	158.06058	122.4
[M+HCOO]-	220.06152	151.6
[M+CH3COO]-	234.07717	189.1
[M+Na-2H]-	196.03799	139.0
[M]+	175.06277	131.4
[M]-	175.06387	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe