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]+ 255.23186 160.7
[M+Na]+ 277.21380 162.9
[M-H]- 253.21730 163.9
[M+NH4]+ 272.25840 176.1
[M+K]+ 293.18774 164.1
[M+H-H2O]+ 237.22184 158.6
[M+HCOO]- 299.22278 173.8
[M+CH3COO]- 313.23843 187.4
[M+Na-2H]- 275.19925 161.3
[M]+ 254.22403 151.3
[M]- 254.22513 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.