CID 6454394

62406-84-2

Structural Information

Molecular Formula

C₁₄H₂₆O₂

SMILES

CC1C(OC2(O1)CCC(CC2)C(C)(C)C)C

InChI

InChI=1S/C14H26O2/c1-10-11(2)16-14(15-10)8-6-12(7-9-14)13(3,4)5/h10-12H,6-9H2,1-5H3

InChIKey

RTRJMEYMKAXBNK-UHFFFAOYSA-N

Compound name

8-tert-butyl-2,3-dimethyl-1,4-dioxaspiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 226.19328 Da
Monoisotopic Mass: 3.7
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]+	227.200556	153.6
[M+Na]+	249.182498	159.2
[M-H]-	225.186004	159.9
[M+NH4]+	244.227103	173.8
[M+K]+	265.156438	159.9
[M+H-H2O]+	209.190540	149.6
[M+HCOO]-	271.191481	168.5
[M+CH3COO]-	285.207131	189.9
[M+Na-2H]-	247.167946	157.6
[M]+	226.19273142	151.7
[M]-	226.19382858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe