CID 116562

2,4-dioxaspiro[5.5]undec-8-ene, 3-ethyl-

Structural Information

Molecular Formula
C11H18O2
SMILES
CCC1OCC2(CCC=CC2)CO1
InChI
InChI=1S/C11H18O2/c1-2-10-12-8-11(9-13-10)6-4-3-5-7-11/h3-4,10H,2,5-9H2,1H3
InChIKey
HGDOZLGKGGHYFC-UHFFFAOYSA-N
Compound name
3-ethyl-2,4-dioxaspiro[5.5]undec-9-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

41
Patents

182.13068 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 140.3
[M+Na]+ 205.119898 144.8
[M-H]- 181.123404 146.2
[M+NH4]+ 200.164503 159.5
[M+K]+ 221.093838 145.9
[M+H-H2O]+ 165.127940 134.2
[M+HCOO]- 227.128881 157.0
[M+CH3COO]- 241.144531 178.8
[M+Na-2H]- 203.105346 148.3
[M]+ 182.13013142 136.3
[M]- 182.13122858 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe