CID 112475

62256-00-2

Structural Information

Molecular Formula

C₁₅H₂₆O₃

SMILES

CCCCC(CC)COC(=O)C1CCC2C(C1)O2

InChI

InChI=1S/C15H26O3/c1-3-5-6-11(4-2)10-17-15(16)12-7-8-13-14(9-12)18-13/h11-14H,3-10H2,1-2H3

InChIKey

ABAMRJVWDHJBTI-UHFFFAOYSA-N

Compound name

2-ethylhexyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 273
Patents: 254.1882 Da
Monoisotopic Mass: 3.8
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]+	255.19548	159.4
[M+Na]+	277.17742	169.9
[M+NH4]+	272.22202	167.5
[M+K]+	293.15136	166.0
[M-H]-	253.18092	168.2
[M+Na-2H]-	275.16287	163.4
[M]+	254.18765	164.3
[M]-	254.18875	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe