CID 101926

2,3-dimethyl-1,4-dioxaspiro[4.11]hexadecane

Structural Information

Molecular Formula
C16H30O2
SMILES
CC1C(OC2(O1)CCCCCCCCCCC2)C
InChI
InChI=1S/C16H30O2/c1-14-15(2)18-16(17-14)12-10-8-6-4-3-5-7-9-11-13-16/h14-15H,3-13H2,1-2H3
InChIKey
WNWSBQSNVBSDST-UHFFFAOYSA-N
Compound name
2,3-dimethyl-1,4-dioxaspiro[4.11]hexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.22458 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.231856 160.7
[M+Na]+ 277.213798 162.9
[M-H]- 253.217304 163.9
[M+NH4]+ 272.258403 176.1
[M+K]+ 293.187738 164.1
[M+H-H2O]+ 237.221840 158.6
[M+HCOO]- 299.222781 173.8
[M+CH3COO]- 313.238431 187.4
[M+Na-2H]- 275.199246 161.3
[M]+ 254.22403142 151.3
[M]- 254.22512858 151.3
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.