CID 115811

Lactic acid, hexyl carbonate tetrahydrofurfuryl ester

Structural Information

Molecular Formula

C₁₅H₂₆O₆

SMILES

CCCCCCOC(=O)OC(C)C(=O)OCC1CCCO1

InChI

InChI=1S/C15H26O6/c1-3-4-5-6-9-19-15(17)21-12(2)14(16)20-11-13-8-7-10-18-13/h12-13H,3-11H2,1-2H3

InChIKey

OUSLCFOQBBMBFU-UHFFFAOYSA-N

Compound name

oxolan-2-ylmethyl 2-hexoxycarbonyloxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 302.17294 Da
Monoisotopic Mass: 3.6
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]+	303.180216	174.7
[M+Na]+	325.162158	177.0
[M-H]-	301.165664	177.2
[M+NH4]+	320.206763	189.6
[M+K]+	341.136098	178.5
[M+H-H2O]+	285.170200	168.1
[M+HCOO]-	347.171141	192.8
[M+CH3COO]-	361.186791	201.2
[M+Na-2H]-	323.147606	173.1
[M]+	302.17239142	180.3
[M]-	302.17348858	180.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.