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]+ 255.231856 161.2
[M+Na]+ 277.213798 165.0
[M-H]- 253.217304 166.9
[M+NH4]+ 272.258403 180.0
[M+K]+ 293.187738 166.0
[M+H-H2O]+ 237.221840 156.1
[M+HCOO]- 299.222781 173.3
[M+CH3COO]- 313.238431 195.6
[M+Na-2H]- 275.199246 167.3
[M]+ 254.22403142 158.0
[M]- 254.22512858 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.