CID 118113

33889-48-4

Structural Information

Molecular Formula

C₁₃H₂₄O₂

SMILES

CC1CCC(C2(C1)OCC(O2)C)C(C)C

InChI

InChI=1S/C13H24O2/c1-9(2)12-6-5-10(3)7-13(12)14-8-11(4)15-13/h9-12H,5-8H2,1-4H3

InChIKey

MAAGZWWNQQUAPA-UHFFFAOYSA-N

Compound name

3,9-dimethyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 212.17763 Da
Monoisotopic Mass: 3.5
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	150.8
[M+Na]+	235.16685	156.1
[M-H]-	211.17035	157.0
[M+NH4]+	230.21145	171.3
[M+K]+	251.14079	156.8
[M+H-H2O]+	195.17489	146.3
[M+HCOO]-	257.17583	166.5
[M+CH3COO]-	271.19148	188.0
[M+Na-2H]-	233.15230	153.0
[M]+	212.17708	148.4
[M]-	212.17818	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe