CID 112802

1-oxaspiro[4.7]dodecane

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

C1CCCC2(CCC1)CCCO2

InChI

InChI=1S/C11H20O/c1-2-4-7-11(8-5-3-1)9-6-10-12-11/h1-10H2

InChIKey

LDUJSEBWLVYVGC-UHFFFAOYSA-N

Compound name

1-oxaspiro[4.7]dodecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 168.15141 Da
Monoisotopic Mass: 3.3
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]+	169.15869	151.8
[M+Na]+	191.14063	154.8
[M+NH4]+	186.18523	155.4
[M+K]+	207.11457	153.6
[M-H]-	167.14413	153.2
[M+Na-2H]-	189.12608	154.5
[M]+	168.15086	152.6
[M]-	168.15196	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe