CID 91805098

2839157-94-5

Structural Information

Molecular Formula

C₆H₁₂O₄S

SMILES

CC(C)(C)OC(=O)CS(=O)O

InChI

InChI=1S/C6H12O4S/c1-6(2,3)10-5(7)4-11(8)9/h4H2,1-3H3,(H,8,9)

InChIKey

FYHPKDDQHXACEW-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxy]-2-oxoethanesulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 180.04562 Da
Monoisotopic Mass: 0.5
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]+	181.05290	139.3
[M+Na]+	203.03484	146.8
[M+NH4]+	198.07944	145.3
[M+K]+	219.00878	142.9
[M-H]-	179.03834	135.9
[M+Na-2H]-	201.02029	139.9
[M]+	180.04507	139.5
[M]-	180.04617	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.