CID 56940669

2-ethyl-1,7-dioxaspiro[5.5]undecane

Structural Information

Molecular Formula
C11H20O2
SMILES
CCC1CCCC2(O1)CCCCO2
InChI
InChI=1S/C11H20O2/c1-2-10-6-5-8-11(13-10)7-3-4-9-12-11/h10H,2-9H2,1H3
InChIKey
XEIORBGGNNMWTB-UHFFFAOYSA-N
Compound name
2-ethyl-1,7-dioxaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

184.14633 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 142.2
[M+Na]+ 207.13555 145.6
[M-H]- 183.13905 147.7
[M+NH4]+ 202.18015 161.2
[M+K]+ 223.10949 146.8
[M+H-H2O]+ 167.14359 136.1
[M+HCOO]- 229.14453 157.4
[M+CH3COO]- 243.16018 179.2
[M+Na-2H]- 205.12100 149.2
[M]+ 184.14578 136.7
[M]- 184.14688 136.7
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