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
1
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]+ 299.18528 144.2
[M+Na]+ 321.16722 144.9
[M-H]- 297.17072 144.1
[M+NH4]+ 316.21182 144.8
[M+K]+ 337.14116 145.0
[M+H-H2O]+ 281.17526 142.7
[M+HCOO]- 343.17620 143.6
[M+CH3COO]- 357.19185 143.2
[M+Na-2H]- 319.15267 141.8
[M]+ 298.17745 143.8
[M]- 298.17855 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.