CID 69721

707-29-9

Structural Information

Molecular Formula
C11H20O2
SMILES
CC1(COC2(CCCCC2)OC1)C
InChI
InChI=1S/C11H20O2/c1-10(2)8-12-11(13-9-10)6-4-3-5-7-11/h3-9H2,1-2H3
InChIKey
QIFSGRPJUXQGMD-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1,5-dioxaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

76
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 141.3
[M+Na]+ 207.13555 145.7
[M-H]- 183.13905 147.3
[M+NH4]+ 202.18015 162.3
[M+K]+ 223.10949 147.3
[M+H-H2O]+ 167.14359 135.8
[M+HCOO]- 229.14453 156.5
[M+CH3COO]- 243.16018 179.0
[M+Na-2H]- 205.12100 149.4
[M]+ 184.14578 136.3
[M]- 184.14688 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

No patent data available for this compound.