CID 540389

Blennin b

Structural Information

Molecular Formula
C15H20O4
SMILES
CC1=C2CC(CC2C(C3=C(C1)C(=O)OC3O)O)(C)C
InChI
InChI=1S/C15H20O4/c1-7-4-8-11(14(18)19-13(8)17)12(16)10-6-15(2,3)5-9(7)10/h10,12,14,16,18H,4-6H2,1-3H3
InChIKey
SEYJJRRZTHFAPX-UHFFFAOYSA-N
Compound name
1,9-dihydroxy-5,7,7-trimethyl-1,4,6,8,8a,9-hexahydroazuleno[5,6-c]furan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

0
Patents

264.13617 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 156.3
[M+Na]+ 287.12539 163.8
[M+NH4]+ 282.16999 164.4
[M+K]+ 303.09933 162.9
[M-H]- 263.12889 157.3
[M+Na-2H]- 285.11084 156.9
[M]+ 264.13562 157.6
[M]- 264.13672 157.6
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.