CID 112488

62406-83-1

Structural Information

Molecular Formula

C₁₃H₂₄O₂

SMILES

CC1COC2(O1)CCC(CC2)C(C)(C)C

InChI

InChI=1S/C13H24O2/c1-10-9-14-13(15-10)7-5-11(6-8-13)12(2,3)4/h10-11H,5-9H2,1-4H3

InChIKey

HFFWINBWALELJR-UHFFFAOYSA-N

Compound name

8-tert-butyl-3-methyl-1,4-dioxaspiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 212.17763 Da
Monoisotopic Mass: 3.3
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]+	213.18491	149.8
[M+Na]+	235.16685	159.3
[M+NH4]+	230.21145	160.0
[M+K]+	251.14079	154.5
[M-H]-	211.17035	154.5
[M+Na-2H]-	233.15230	154.1
[M]+	212.17708	152.6
[M]-	212.17818	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe