CID 85214158

Sapidolide a

Structural Information

Molecular Formula
C14H18O5
SMILES
CC12C3CCC1(C4C(C(C2(OC3)O)OC4=O)C=C)O
InChI
InChI=1S/C14H18O5/c1-3-8-9-11(15)19-10(8)14(17)12(2)7(6-18-14)4-5-13(9,12)16/h3,7-10,16-17H,1,4-6H2,2H3
InChIKey
OZRZMHKATMSFPV-UHFFFAOYSA-N
Compound name
13-ethenyl-1,7-dihydroxy-12-methyl-2,10-dioxatetracyclo[5.4.1.18,11.04,12]tridecan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.11542 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12270 156.5
[M+Na]+ 289.10464 162.4
[M+NH4]+ 284.14924 168.2
[M+K]+ 305.07858 159.3
[M-H]- 265.10814 156.5
[M+Na-2H]- 287.09009 155.0
[M]+ 266.11487 157.4
[M]- 266.11597 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe