CID 136434

Dipropyl sulfite

Structural Information

Molecular Formula

C₆H₁₄O₃S

SMILES

CCCOS(=O)OCCC

InChI

InChI=1S/C6H14O3S/c1-3-5-8-10(7)9-6-4-2/h3-6H2,1-2H3

InChIKey

MAIQPVFXODAAIG-UHFFFAOYSA-N

Compound name

dipropyl sulfite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 424
Patents: 166.06636 Da
Monoisotopic Mass: 2.0
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]+	167.07364	135.1
[M+Na]+	189.05558	144.2
[M+NH4]+	184.10018	142.6
[M+K]+	205.02952	137.6
[M-H]-	165.05908	133.9
[M+Na-2H]-	187.04103	137.3
[M]+	166.06581	136.3
[M]-	166.06691	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe