CID 16920

1,5-dimesyloxypentane

Structural Information

Molecular Formula

C₇H₁₆O₆S₂

SMILES

CS(=O)(=O)OCCCCCOS(=O)(=O)C

InChI

InChI=1S/C7H16O6S2/c1-14(8,9)12-6-4-3-5-7-13-15(2,10)11/h3-7H2,1-2H3

InChIKey

QTNVULGCBFTXBM-UHFFFAOYSA-N

Compound name

5-methylsulfonyloxypentyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 276
Patents: 260.03882 Da
Monoisotopic Mass: -0.2
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]+	261.04610	155.0
[M+Na]+	283.02804	161.9
[M-H]-	259.03154	154.7
[M+NH4]+	278.07264	171.7
[M+K]+	299.00198	159.5
[M+H-H2O]+	243.03608	149.5
[M+HCOO]-	305.03702	166.1
[M+CH3COO]-	319.05267	188.2
[M+Na-2H]-	281.01349	158.1
[M]+	260.03827	163.6
[M]-	260.03937	163.6

Literature stripe

literature stripe

Patent stripe

patents stripe