CID 85883

15618-65-2

Structural Information

Molecular Formula

C₁₇H₃₄O₅

SMILES

CCCCC(CC)COOC(=O)OOCC(CC)CCCC

InChI

InChI=1S/C17H34O5/c1-5-9-11-15(7-3)13-19-21-17(18)22-20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3

InChIKey

MONDOAXQDOCXQW-UHFFFAOYSA-N

Compound name

bis(2-ethylhexoxy) carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 318.24063 Da
Monoisotopic Mass: 6.9
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]+	319.247906	183.9
[M+Na]+	341.229848	186.1
[M-H]-	317.233354	182.3
[M+NH4]+	336.274453	198.3
[M+K]+	357.203788	186.4
[M+H-H2O]+	301.237890	176.9
[M+HCOO]-	363.238831	202.5
[M+CH3COO]-	377.254481	210.1
[M+Na-2H]-	339.215296	181.5
[M]+	318.24008142	193.8
[M]-	318.24117858	193.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe