CID 3015734

Dodecyl ethyl carbonate

Structural Information

Molecular Formula

C₁₅H₃₀O₃

SMILES

CCCCCCCCCCCCOC(=O)OCC

InChI

InChI=1S/C15H30O3/c1-3-5-6-7-8-9-10-11-12-13-14-18-15(16)17-4-2/h3-14H2,1-2H3

InChIKey

LMSGSHBFYQRPBM-UHFFFAOYSA-N

Compound name

dodecyl ethyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 258.21948 Da
Monoisotopic Mass: 6.3
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]+	259.226756	168.6
[M+Na]+	281.208698	172.3
[M-H]-	257.212204	167.4
[M+NH4]+	276.253303	185.8
[M+K]+	297.182638	171.0
[M+H-H2O]+	241.216740	162.3
[M+HCOO]-	303.217681	189.4
[M+CH3COO]-	317.233331	198.8
[M+Na-2H]-	279.194146	169.6
[M]+	258.21893142	176.2
[M]-	258.22002858	176.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe