CID 4369739

883837-12-5

Structural Information

Molecular Formula
C16H30O2
SMILES
CCC(C)(C)C1CCC2(CC1)OCC(CO2)(C)C
InChI
InChI=1S/C16H30O2/c1-6-15(4,5)13-7-9-16(10-8-13)17-11-14(2,3)12-18-16/h13H,6-12H2,1-5H3
InChIKey
POBVXJHLIVSGOU-UHFFFAOYSA-N
Compound name
3,3-dimethyl-9-(2-methylbutan-2-yl)-1,5-dioxaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.22458 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.23186 161.2
[M+Na]+ 277.21380 165.0
[M-H]- 253.21730 166.9
[M+NH4]+ 272.25840 180.0
[M+K]+ 293.18774 166.0
[M+H-H2O]+ 237.22184 156.1
[M+HCOO]- 299.22278 173.3
[M+CH3COO]- 313.23843 195.6
[M+Na-2H]- 275.19925 167.3
[M]+ 254.22403 158.0
[M]- 254.22513 158.0
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.