CID 212782

Mso2vl

Structural Information

Molecular Formula

C₆H₁₀O₄S

SMILES

CS(=O)(=O)CC1CCC(=O)O1

InChI

InChI=1S/C6H10O4S/c1-11(8,9)4-5-2-3-6(7)10-5/h5H,2-4H2,1H3

InChIKey

PMRXVIXJZUOPMZ-UHFFFAOYSA-N

Compound name

5-(methylsulfonylmethyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 178.02998 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]+	179.03726	133.6
[M+Na]+	201.01920	142.3
[M-H]-	177.02270	138.3
[M+NH4]+	196.06380	154.8
[M+K]+	216.99314	142.4
[M+H-H2O]+	161.02724	129.7
[M+HCOO]-	223.02818	150.9
[M+CH3COO]-	237.04383	174.0
[M+Na-2H]-	199.00465	137.2
[M]+	178.02943	136.7
[M]-	178.03053	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe