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
2
Annotation Hits

0
References

40
Patents

182.13068 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 140.3
[M+Na]+ 205.11990 144.8
[M-H]- 181.12340 146.2
[M+NH4]+ 200.16450 159.5
[M+K]+ 221.09384 145.9
[M+H-H2O]+ 165.12794 134.2
[M+HCOO]- 227.12888 157.0
[M+CH3COO]- 241.14453 178.8
[M+Na-2H]- 203.10535 148.3
[M]+ 182.13013 136.3
[M]- 182.13123 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