CID 68333

Dibutyl carbonate

Structural Information

Molecular Formula

C₉H₁₈O₃

SMILES

CCCCOC(=O)OCCCC

InChI

InChI=1S/C9H18O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3

InChIKey

QLVWOKQMDLQXNN-UHFFFAOYSA-N

Compound name

dibutyl carbonate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 30785
Patents: 174.1256 Da
Monoisotopic Mass: 3.0
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]+	175.13288	140.1
[M+Na]+	197.11482	149.5
[M+NH4]+	192.15942	147.0
[M+K]+	213.08876	144.1
[M-H]-	173.11832	138.7
[M+Na-2H]-	195.10027	142.7
[M]+	174.12505	140.7
[M]-	174.12615	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe