CID 92524

67674-42-4

Structural Information

Molecular Formula

C₁₂H₂₀O₃

SMILES

CC(=O)OC1CCC(OC1(C)C)(C)C=C

InChI

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

InChIKey

IRWLDXUJBJPFNV-UHFFFAOYSA-N

Compound name

(6-ethenyl-2,2,6-trimethyloxan-3-yl) acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
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	144.3
[M+Na]+	235.13047	151.5
[M-H]-	211.13397	148.6
[M+NH4]+	230.17507	166.1
[M+K]+	251.10441	152.1
[M+H-H2O]+	195.13851	140.7
[M+HCOO]-	257.13945	162.7
[M+CH3COO]-	271.15510	187.6
[M+Na-2H]-	233.11592	149.4
[M]+	212.14070	145.5
[M]-	212.14180	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe