CID 56940670

7-ethyl-2r-methyl-1,6-dioxaspiro[4.5]decane

Structural Information

Molecular Formula
C11H20O2
SMILES
CCC1CCCC2(O1)CC[C@H](O2)C
InChI
InChI=1S/C11H20O2/c1-3-10-5-4-7-11(13-10)8-6-9(2)12-11/h9-10H,3-8H2,1-2H3/t9-,10?,11?/m1/s1
InChIKey
CIYDGNLCXUMCGG-KPPDAEKUSA-N
Compound name
(2R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 141.8
[M+Na]+ 207.13555 147.2
[M-H]- 183.13905 147.9
[M+NH4]+ 202.18015 163.1
[M+K]+ 223.10949 148.0
[M+H-H2O]+ 167.14359 137.0
[M+HCOO]- 229.14453 159.2
[M+CH3COO]- 243.16018 179.9
[M+Na-2H]- 205.12100 146.8
[M]+ 184.14578 138.9
[M]- 184.14688 138.9
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

No patent data available for this compound.