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: 711
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]+	167.073636	133.9
[M+Na]+	189.055578	140.9
[M-H]-	165.059084	134.3
[M+NH4]+	184.100183	155.0
[M+K]+	205.029518	140.8
[M+H-H2O]+	149.063620	128.8
[M+HCOO]-	211.064561	152.1
[M+CH3COO]-	225.080211	177.0
[M+Na-2H]-	187.041026	136.2
[M]+	166.06581142	140.2
[M]-	166.06690858	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe