CID 172844

3-ethyl-8,11(or 9,11)-dimethyl-2,4-dioxaspiro(5.5)undec-8-ene

Structural Information

Molecular Formula
C13H22O2
SMILES
CCC1OCC2(CC(=CCC2C)C)CO1
InChI
InChI=1S/C13H22O2/c1-4-12-14-8-13(9-15-12)7-10(2)5-6-11(13)3/h5,11-12H,4,6-9H2,1-3H3
InChIKey
OIUVCPKUZFAQIY-UHFFFAOYSA-N
Compound name
3-ethyl-8,11-dimethyl-2,4-dioxaspiro[5.5]undec-8-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

210.16199 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.16927 148.5
[M+Na]+ 233.15121 154.2
[M-H]- 209.15471 154.9
[M+NH4]+ 228.19581 167.3
[M+K]+ 249.12515 154.7
[M+H-H2O]+ 193.15925 142.7
[M+HCOO]- 255.16019 164.6
[M+CH3COO]- 269.17584 187.1
[M+Na-2H]- 231.13666 154.3
[M]+ 210.16144 146.1
[M]- 210.16254 146.1
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