CID 98084

64058-38-4

Structural Information

Molecular Formula

C₁₃H₂₂O₆

SMILES

CCCCOC(=O)OC(C)C(=O)OCC1CCCO1

InChI

InChI=1S/C13H22O6/c1-3-4-7-17-13(15)19-10(2)12(14)18-9-11-6-5-8-16-11/h10-11H,3-9H2,1-2H3

InChIKey

YMURBNOJOCMCNI-UHFFFAOYSA-N

Compound name

oxolan-2-ylmethyl 2-butoxycarbonyloxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 274.14163 Da
Monoisotopic Mass: 2.5
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]+	275.14891	164.1
[M+Na]+	297.13085	169.9
[M+NH4]+	292.17545	168.6
[M+K]+	313.10479	169.3
[M-H]-	273.13435	162.9
[M+Na-2H]-	295.11630	163.5
[M]+	274.14108	163.9
[M]-	274.14218	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe