CID 14634289

128500-67-4

Structural Information

Molecular Formula
C19H28O4
SMILES
CC1(C2CCC34CC(CCC3C2(C(OC1=O)O)C)C5(C4O5)C)C
InChI
InChI=1S/C19H28O4/c1-16(2)11-7-8-19-9-10(18(4)13(19)23-18)5-6-12(19)17(11,3)15(21)22-14(16)20/h10-13,15,21H,5-9H2,1-4H3
InChIKey
JEZFFKVMFCDTRK-UHFFFAOYSA-N
Compound name
8-hydroxy-5,5,9,14-tetramethyl-7,15-dioxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

320.19876 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20604 173.7
[M+Na]+ 343.18798 183.5
[M-H]- 319.19148 179.4
[M+NH4]+ 338.23258 193.4
[M+K]+ 359.16192 182.5
[M+H-H2O]+ 303.19602 169.3
[M+HCOO]- 365.19696 177.5
[M+CH3COO]- 379.21261 183.7
[M+Na-2H]- 341.17343 179.0
[M]+ 320.19821 176.9
[M]- 320.19931 176.9
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.