CID 79887429

934703-86-3

Structural Information

Molecular Formula

SMILES

C1CN(CC2=C1SC=C2)C(=O)Cl

InChI

InChI=1S/C8H8ClNOS/c9-8(11)10-3-1-7-6(5-10)2-4-12-7/h2,4H,1,3,5H2

InChIKey

UTDHMKWKFDMNKH-UHFFFAOYSA-N

Compound name

6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 201.00151 Da
Monoisotopic Mass: 2.0
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]+	202.00879	138.9
[M+Na]+	223.99073	150.9
[M+NH4]+	219.03533	149.0
[M+K]+	239.96467	143.8
[M-H]-	199.99423	140.7
[M+Na-2H]-	221.97618	143.4
[M]+	201.00096	141.8
[M]-	201.00206	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe