CID 84763218

1785360-85-1

Structural Information

Molecular Formula

C₅H₁₀O₃S

SMILES

C1CC(S(=O)(=O)C1)CO

InChI

InChI=1S/C5H10O3S/c6-4-5-2-1-3-9(5,7)8/h5-6H,1-4H2

InChIKey

LMRSAJPNKCWDQI-UHFFFAOYSA-N

Compound name

(1,1-dioxothiolan-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 150.03506 Da
Monoisotopic Mass: 0.0
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]+	151.04234	127.0
[M+Na]+	173.02428	135.9
[M-H]-	149.02778	129.8
[M+NH4]+	168.06888	151.9
[M+K]+	188.99822	134.3
[M+H-H2O]+	133.03232	123.8
[M+HCOO]-	195.03326	144.8
[M+CH3COO]-	209.04891	166.5
[M+Na-2H]-	171.00973	130.1
[M]+	150.03451	127.5
[M]-	150.03561	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe