CID 536816

Diisopropyl sulfite

Structural Information

Molecular Formula

C₆H₁₄O₃S

SMILES

CC(C)OS(=O)OC(C)C

InChI

InChI=1S/C6H14O3S/c1-5(2)8-10(7)9-6(3)4/h5-6H,1-4H3

InChIKey

IIKLEMKAKOISSP-UHFFFAOYSA-N

Compound name

dipropan-2-yl sulfite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 161
Patents: 166.06636 Da
Monoisotopic Mass: 1.8
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]+	167.07364	135.3
[M+Na]+	189.05558	143.7
[M+NH4]+	184.10018	142.6
[M+K]+	205.02952	138.7
[M-H]-	165.05908	133.7
[M+Na-2H]-	187.04103	136.9
[M]+	166.06581	136.2
[M]-	166.06691	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe