CID 11344352

Oxan-4-yl methanesulfonate

Structural Information

Molecular Formula

C₆H₁₂O₄S

SMILES

CS(=O)(=O)OC1CCOCC1

InChI

InChI=1S/C6H12O4S/c1-11(7,8)10-6-2-4-9-5-3-6/h6H,2-5H2,1H3

InChIKey

GSEZHCLWHDZJAB-UHFFFAOYSA-N

Compound name

oxan-4-yl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 994
Patents: 180.04562 Da
Monoisotopic Mass: 0.1
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]+	181.05290	133.6
[M+Na]+	203.03484	140.0
[M-H]-	179.03834	137.6
[M+NH4]+	198.07944	152.5
[M+K]+	219.00878	140.7
[M+H-H2O]+	163.04288	128.6
[M+HCOO]-	225.04382	148.6
[M+CH3COO]-	239.05947	174.1
[M+Na-2H]-	201.02029	139.2
[M]+	180.04507	134.8
[M]-	180.04617	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe