CID 130115651

1823329-32-3

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₃

SMILES

COC(=O)C1=CC(=NC2=C1COCC2)Cl

InChI

InChI=1S/C10H10ClNO3/c1-14-10(13)6-4-9(11)12-8-2-3-15-5-7(6)8/h4H,2-3,5H2,1H3

InChIKey

XREQPJZNGUVTSO-UHFFFAOYSA-N

Compound name

methyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.03493 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]+	228.042206	144.1
[M+Na]+	250.024148	153.2
[M-H]-	226.027654	147.9
[M+NH4]+	245.068753	161.7
[M+K]+	265.998088	151.3
[M+H-H2O]+	210.032190	138.1
[M+HCOO]-	272.033131	158.4
[M+CH3COO]-	286.048781	186.7
[M+Na-2H]-	248.009596	150.9
[M]+	227.03438142	147.2
[M]-	227.03547858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.