CID 13227784

2,7-diethyl-1,6-dioxaspiro[4.4]nonane

Structural Information

Molecular Formula
C11H20O2
SMILES
CCC1CCC2(O1)CCC(O2)CC
InChI
InChI=1S/C11H20O2/c1-3-9-5-7-11(12-9)8-6-10(4-2)13-11/h9-10H,3-8H2,1-2H3
InChIKey
SVWMDNXXRJCGOY-UHFFFAOYSA-N
Compound name
2,7-diethyl-1,6-dioxaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

184.14633 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 142.5
[M+Na]+ 207.13555 148.7
[M-H]- 183.13905 148.8
[M+NH4]+ 202.18015 165.5
[M+K]+ 223.10949 149.4
[M+H-H2O]+ 167.14359 138.7
[M+HCOO]- 229.14453 162.0
[M+CH3COO]- 243.16018 180.0
[M+Na-2H]- 205.12100 146.2
[M]+ 184.14578 141.7
[M]- 184.14688 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe