CID 43541990

3-methylmorpholine-4-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₁₀ClNO₃S

SMILES

CC1COCCN1S(=O)(=O)Cl

InChI

InChI=1S/C5H10ClNO3S/c1-5-4-10-3-2-7(5)11(6,8)9/h5H,2-4H2,1H3

InChIKey

DCMYXTWQZNNSDO-UHFFFAOYSA-N

Compound name

3-methylmorpholine-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.00699 Da
Monoisotopic Mass: 0.4
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]+	200.014266	135.7
[M+Na]+	221.996208	144.1
[M-H]-	197.999714	138.8
[M+NH4]+	217.040813	153.8
[M+K]+	237.970148	142.7
[M+H-H2O]+	182.004250	131.2
[M+HCOO]-	244.005191	144.8
[M+CH3COO]-	258.020841	176.6
[M+Na-2H]-	219.981656	140.3
[M]+	199.00644142	137.6
[M]-	199.00753858	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.