CID 131752210

Oryzalide b

Structural Information

Molecular Formula
C19H28O4
SMILES
CC1(C2CCC34CC(CCC3C2(C(OC1=O)O)C)C(=C)C4O)C
InChI
InChI=1S/C19H28O4/c1-10-11-5-6-13-18(4)12(7-8-19(13,9-11)14(10)20)17(2,3)15(21)23-16(18)22/h11-14,16,20,22H,1,5-9H2,2-4H3
InChIKey
QINXJSIKYUBGSE-UHFFFAOYSA-N
Compound name
8,15-dihydroxy-5,5,9-trimethyl-14-methylidene-7-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.19876 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.206036 174.1
[M+Na]+ 343.187978 181.4
[M-H]- 319.191484 176.5
[M+NH4]+ 338.232583 197.2
[M+K]+ 359.161918 176.9
[M+H-H2O]+ 303.196020 170.0
[M+HCOO]- 365.196961 180.3
[M+CH3COO]- 379.212611 183.5
[M+Na-2H]- 341.173426 176.0
[M]+ 320.19821142 169.9
[M]- 320.19930858 169.9
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.