CID 15278452

Oxolan-3-yl methanesulfonate

Structural Information

Molecular Formula

C₅H₁₀O₄S

SMILES

CS(=O)(=O)OC1CCOC1

InChI

InChI=1S/C5H10O4S/c1-10(6,7)9-5-2-3-8-4-5/h5H,2-4H2,1H3

InChIKey

KHXQGLSTCGSGLW-UHFFFAOYSA-N

Compound name

oxolan-3-yl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 525
Patents: 166.02998 Da
Monoisotopic Mass: -0.3
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]+	167.03726	130.8
[M+Na]+	189.01920	138.8
[M-H]-	165.02270	135.3
[M+NH4]+	184.06380	152.3
[M+K]+	204.99314	139.8
[M+H-H2O]+	149.02724	126.8
[M+HCOO]-	211.02818	148.3
[M+CH3COO]-	225.04383	170.7
[M+Na-2H]-	187.00465	135.5
[M]+	166.02943	133.9
[M]-	166.03053	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe