CID 116407798

1593970-00-3

Structural Information

Molecular Formula

C₇H₁₂ClNOS

SMILES

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

InChI

InChI=1S/C7H12ClNOS/c1-7(2)5-9(6(8)10)3-4-11-7/h3-5H2,1-2H3

InChIKey

BFPUNVUIVRORLI-UHFFFAOYSA-N

Compound name

2,2-dimethylthiomorpholine-4-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.0328 Da
Monoisotopic Mass: 1.8
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]+	194.04008	139.4
[M+Na]+	216.02202	150.7
[M+NH4]+	211.06662	150.0
[M+K]+	231.99596	140.9
[M-H]-	192.02552	140.7
[M+Na-2H]-	214.00747	145.3
[M]+	193.03225	142.2
[M]-	193.03335	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.