CID 69721

707-29-9

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CC1(COC2(CCCCC2)OC1)C

InChI

InChI=1S/C11H20O2/c1-10(2)8-12-11(13-9-10)6-4-3-5-7-11/h3-9H2,1-2H3

InChIKey

QIFSGRPJUXQGMD-UHFFFAOYSA-N

Compound name

3,3-dimethyl-1,5-dioxaspiro[5.5]undecane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 77
Patents: 184.14633 Da
Monoisotopic Mass: 2.6
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]+	185.153606	141.3
[M+Na]+	207.135548	145.7
[M-H]-	183.139054	147.3
[M+NH4]+	202.180153	162.3
[M+K]+	223.109488	147.3
[M+H-H2O]+	167.143590	135.8
[M+HCOO]-	229.144531	156.5
[M+CH3COO]-	243.160181	179.0
[M+Na-2H]-	205.120996	149.4
[M]+	184.14578142	136.3
[M]-	184.14687858	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe