CID 62921995

2219407-64-2

Structural Information

Molecular Formula

SMILES

C1COCC2=C1N=C(S2)CCl

InChI

InChI=1S/C7H8ClNOS/c8-3-7-9-5-1-2-10-4-6(5)11-7/h1-4H2

InChIKey

GNIGCJDBKCCTSO-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.00151 Da
Monoisotopic Mass: 1.1
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]+	190.00879	134.9
[M+Na]+	211.99073	147.8
[M+NH4]+	207.03533	145.4
[M+K]+	227.96467	140.6
[M-H]-	187.99423	138.5
[M+Na-2H]-	209.97618	139.5
[M]+	189.00096	138.5
[M]-	189.00206	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.