CID 69344

Dipropyl carbonate

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

CCCOC(=O)OCCC

InChI

InChI=1S/C7H14O3/c1-3-5-9-7(8)10-6-4-2/h3-6H2,1-2H3

InChIKey

VUPKGFBOKBGHFZ-UHFFFAOYSA-N

Compound name

dipropyl carbonate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 167
References: 95530
Patents: 146.0943 Da
Monoisotopic Mass: 2.3
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]+	147.10158	131.4
[M+Na]+	169.08352	138.5
[M-H]-	145.08702	131.7
[M+NH4]+	164.12812	153.1
[M+K]+	185.05746	139.4
[M+H-H2O]+	129.09156	126.7
[M+HCOO]-	191.09250	154.9
[M+CH3COO]-	205.10815	174.7
[M+Na-2H]-	167.06897	136.8
[M]+	146.09375	136.0
[M]-	146.09485	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe