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 157.9
[M+Na]+ 287.12539 166.1
[M-H]- 263.12889 163.6
[M+NH4]+ 282.16999 179.1
[M+K]+ 303.09933 165.5
[M+H-H2O]+ 247.13343 156.0
[M+HCOO]- 309.13437 173.6
[M+CH3COO]- 323.15002 196.1
[M+Na-2H]- 285.11084 158.6
[M]+ 264.13562 156.1
[M]- 264.13672 156.1
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.