CID 288419

Ethyl 2-(2-methylpyridin-4-yl)acetate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CCOC(=O)CC1=CC(=NC=C1)C

InChI

InChI=1S/C10H13NO2/c1-3-13-10(12)7-9-4-5-11-8(2)6-9/h4-6H,3,7H2,1-2H3

InChIKey

CXFBWADZFNIQMP-UHFFFAOYSA-N

Compound name

ethyl 2-(2-methylpyridin-4-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 179.09464 Da
Monoisotopic Mass: 1.4
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]+	180.10192	137.9
[M+Na]+	202.08386	145.9
[M-H]-	178.08736	140.3
[M+NH4]+	197.12846	156.9
[M+K]+	218.05780	144.6
[M+H-H2O]+	162.09190	131.3
[M+HCOO]-	224.09284	160.6
[M+CH3COO]-	238.10849	181.4
[M+Na-2H]-	200.06931	143.8
[M]+	179.09409	140.6
[M]-	179.09519	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe