CID 130048765

Methyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₈ClNO₂S

SMILES

CC1=C(SC2=C1C(=NC=C2)Cl)C(=O)OC

InChI

InChI=1S/C10H8ClNO2S/c1-5-7-6(3-4-12-9(7)11)15-8(5)10(13)14-2/h3-4H,1-2H3

InChIKey

QEMANMACWZWYLO-UHFFFAOYSA-N

Compound name

methyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.99643 Da
Monoisotopic Mass: 3.4
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]+	242.003706	147.0
[M+Na]+	263.985648	160.2
[M-H]-	239.989154	152.0
[M+NH4]+	259.030253	168.6
[M+K]+	279.959588	155.7
[M+H-H2O]+	223.993690	142.5
[M+HCOO]-	285.994631	162.0
[M+CH3COO]-	300.010281	188.4
[M+Na-2H]-	261.971096	149.6
[M]+	240.99588142	155.8
[M]-	240.99697858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.