CID 102527

1,4-dioxaspiro(4.5)decane, 7,7,9-trimethyl-

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CC1CC(CC2(C1)OCCO2)(C)C

InChI

InChI=1S/C11H20O2/c1-9-6-10(2,3)8-11(7-9)12-4-5-13-11/h9H,4-8H2,1-3H3

InChIKey

ZTUOQBOZIFOYMP-UHFFFAOYSA-N

Compound name

7,7,9-trimethyl-1,4-dioxaspiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 184.14633 Da
Monoisotopic Mass: 2.7
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]+	185.15361	139.9
[M+Na]+	207.13555	146.3
[M-H]-	183.13905	146.4
[M+NH4]+	202.18015	163.2
[M+K]+	223.10949	147.4
[M+H-H2O]+	167.14359	135.9
[M+HCOO]-	229.14453	157.3
[M+CH3COO]-	243.16018	179.7
[M+Na-2H]-	205.12100	146.2
[M]+	184.14578	137.4
[M]-	184.14688	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe