CID 106770

Linalool oxide acetates

Structural Information

Molecular Formula

C₁₂H₂₀O₃

SMILES

CC(=O)OC(C)(C)C1CCC(O1)(C)C=C

InChI

InChI=1S/C12H20O3/c1-6-12(5)8-7-10(15-12)11(3,4)14-9(2)13/h6,10H,1,7-8H2,2-5H3

InChIKey

PZMSWQCFPOWCEC-UHFFFAOYSA-N

Compound name

2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-yl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 212.14125 Da
Monoisotopic Mass: 2.0
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]+	213.14853	147.4
[M+Na]+	235.13047	154.1
[M-H]-	211.13397	151.4
[M+NH4]+	230.17507	168.9
[M+K]+	251.10441	154.4
[M+H-H2O]+	195.13851	144.0
[M+HCOO]-	257.13945	166.4
[M+CH3COO]-	271.15510	186.7
[M+Na-2H]-	233.11592	151.6
[M]+	212.14070	149.4
[M]-	212.14180	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe