CID 260941

7,12-dioxaspiro[5,6]dodec-9-ene

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C1CCC2(CC1)OCC=CCO2

InChI

InChI=1S/C10H16O2/c1-2-6-10(7-3-1)11-8-4-5-9-12-10/h4-5H,1-3,6-9H2

InChIKey

CTCFVVBASGCJPJ-UHFFFAOYSA-N

Compound name

7,12-dioxaspiro[5.6]dodec-9-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 168.11504 Da
Monoisotopic Mass: 1.9
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]+	169.12232	131.5
[M+Na]+	191.10426	133.7
[M-H]-	167.10776	138.0
[M+NH4]+	186.14886	149.4
[M+K]+	207.07820	138.0
[M+H-H2O]+	151.11230	126.3
[M+HCOO]-	213.11324	148.0
[M+CH3COO]-	227.12889	143.3
[M+Na-2H]-	189.08971	140.2
[M]+	168.11449	123.8
[M]-	168.11559	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe