CID 97179344

1427024-65-4

Structural Information

Molecular Formula

C₇H₁₄O₄S

SMILES

CS(=O)(=O)C1(CCOCC1)CO

InChI

InChI=1S/C7H14O4S/c1-12(9,10)7(6-8)2-4-11-5-3-7/h8H,2-6H2,1H3

InChIKey

IHHJJQMXLSFDKC-UHFFFAOYSA-N

Compound name

(4-methylsulfonyloxan-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.06128 Da
Monoisotopic Mass: -0.9
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]+	195.06856	137.8
[M+Na]+	217.05050	144.1
[M-H]-	193.05400	140.3
[M+NH4]+	212.09510	157.4
[M+K]+	233.02444	144.0
[M+H-H2O]+	177.05854	133.9
[M+HCOO]-	239.05948	150.9
[M+CH3COO]-	253.07513	174.1
[M+Na-2H]-	215.03595	144.0
[M]+	194.06073	138.0
[M]-	194.06183	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.