CID 102532

2-methyl-1,4-dioxaspiro[4.11]hexadecane

Structural Information

Molecular Formula
C15H28O2
SMILES
CC1COC2(O1)CCCCCCCCCCC2
InChI
InChI=1S/C15H28O2/c1-14-13-16-15(17-14)11-9-7-5-3-2-4-6-8-10-12-15/h14H,2-13H2,1H3
InChIKey
HDCUPDJOTUNHOM-UHFFFAOYSA-N
Compound name
3-methyl-1,4-dioxaspiro[4.11]hexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.20892 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.216196 156.6
[M+Na]+ 263.198138 158.2
[M-H]- 239.201644 159.5
[M+NH4]+ 258.242743 172.2
[M+K]+ 279.172078 159.7
[M+H-H2O]+ 223.206180 154.3
[M+HCOO]- 285.207121 170.0
[M+CH3COO]- 299.222771 166.0
[M+Na-2H]- 261.183586 158.3
[M]+ 240.20837142 146.4
[M]- 240.20946858 146.4
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.