CID 154699699

Ns00117442

Structural Information

Molecular Formula
C16H26O5
SMILES
CC1CCC2C(C(OC3C24C1CCCC(O3)(OO4)C)O)C
InChI
InChI=1S/C16H26O5/c1-9-6-7-12-10(2)13(17)18-14-16(12)11(9)5-4-8-15(3,19-14)20-21-16/h9-14,17H,4-8H2,1-3H3
InChIKey
IZUFEMLWLHVKQB-UHFFFAOYSA-N
Compound name
1,6,10-trimethyl-12,15,16,17-tetraoxatetracyclo[11.3.1.05,14.09,14]heptadecan-11-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

298.178 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.185276 144.2
[M+Na]+ 321.167218 144.9
[M-H]- 297.170724 144.1
[M+NH4]+ 316.211823 144.8
[M+K]+ 337.141158 145.0
[M+H-H2O]+ 281.175260 142.7
[M+HCOO]- 343.176201 143.6
[M+CH3COO]- 357.191851 143.2
[M+Na-2H]- 319.152666 141.8
[M]+ 298.17745142 143.8
[M]- 298.17854858 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.