CID 75051793

15-hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide

Structural Information

Molecular Formula
C15H18O3
SMILES
C=C1CCC2C(C3C1CC=C3CO)OC(=O)C2=C
InChI
InChI=1S/C15H18O3/c1-8-3-5-12-9(2)15(17)18-14(12)13-10(7-16)4-6-11(8)13/h4,11-14,16H,1-3,5-7H2
InChIKey
XIKLPPAERLRBPO-UHFFFAOYSA-N
Compound name
9-(hydroxymethyl)-3,6-dimethylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1256 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 155.3
[M+Na]+ 269.11482 161.9
[M-H]- 245.11832 161.3
[M+NH4]+ 264.15942 175.5
[M+K]+ 285.08876 160.5
[M+H-H2O]+ 229.12286 152.8
[M+HCOO]- 291.12380 171.3
[M+CH3COO]- 305.13945 194.4
[M+Na-2H]- 267.10027 154.5
[M]+ 246.12505 150.5
[M]- 246.12615 150.5
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.