CID 141486505

2131057-08-2

Structural Information

Molecular Formula

C₆H₁₀ClNOS

SMILES

CC1(N(CCS1)C(=O)Cl)C

InChI

InChI=1S/C6H10ClNOS/c1-6(2)8(5(7)9)3-4-10-6/h3-4H2,1-2H3

InChIKey

MDVGSSBINZIPDC-UHFFFAOYSA-N

Compound name

2,2-dimethyl-1,3-thiazolidine-3-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 179.01717 Da
Monoisotopic Mass: 1.9
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]+	180.02445	134.0
[M+Na]+	202.00639	143.2
[M-H]-	178.00989	136.7
[M+NH4]+	197.05099	158.1
[M+K]+	217.98033	140.8
[M+H-H2O]+	162.01443	130.4
[M+HCOO]-	224.01537	145.6
[M+CH3COO]-	238.03102	175.5
[M+Na-2H]-	199.99184	135.1
[M]+	179.01662	135.8
[M]-	179.01772	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe