CID 131752028

Hydroxypelenolide

Structural Information

Molecular Formula
C15H24O3
SMILES
CC1CC2C(CC/C(=C\CC1O)/C)C(C(=O)O2)C
InChI
InChI=1S/C15H24O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,10-14,16H,4,6-8H2,1-3H3/b9-5-
InChIKey
LAOQYXNUSDEVJK-UITAMQMPSA-N
Compound name
(6Z)-9-hydroxy-3,6,10-trimethyl-3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

252.17255 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17983 157.3
[M+Na]+ 275.16177 167.1
[M+NH4]+ 270.20637 164.3
[M+K]+ 291.13571 163.5
[M-H]- 251.16527 159.8
[M+Na-2H]- 273.14722 158.3
[M]+ 252.17200 159.0
[M]- 252.17310 159.0
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

patents stripe