CID 14729907

2-methyl-1,7-dioxaspiro[5.6]dodecane

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CC1CCCC2(O1)CCCCCO2

InChI

InChI=1S/C11H20O2/c1-10-6-5-8-11(13-10)7-3-2-4-9-12-11/h10H,2-9H2,1H3

InChIKey

WLQFFPNTGKKCAI-UHFFFAOYSA-N

Compound name

2-methyl-1,12-dioxaspiro[5.6]dodecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 184.14633 Da
Monoisotopic Mass: 2.4
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	136.9
[M+Na]+	207.13555	138.6
[M-H]-	183.13905	143.2
[M+NH4]+	202.18015	154.4
[M+K]+	223.10949	142.8
[M+H-H2O]+	167.14359	131.7
[M+HCOO]-	229.14453	151.6
[M+CH3COO]-	243.16018	148.1
[M+Na-2H]-	205.12100	143.6
[M]+	184.14578	128.5
[M]-	184.14688	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe