CID 200424

2058-49-3

Structural Information

Molecular Formula

C₄H₁₀O₃S

SMILES

CS(=O)(=O)CCCO

InChI

InChI=1S/C4H10O3S/c1-8(6,7)4-2-3-5/h5H,2-4H2,1H3

InChIKey

XPXXXQZNUQAFQY-UHFFFAOYSA-N

Compound name

3-methylsulfonylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 876
Patents: 138.03506 Da
Monoisotopic Mass: -0.7
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]+	139.04234	127.9
[M+Na]+	161.02428	137.0
[M+NH4]+	156.06888	135.0
[M+K]+	176.99822	131.3
[M-H]-	137.02778	125.6
[M+Na-2H]-	159.00973	130.0
[M]+	138.03451	128.8
[M]-	138.03561	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe