CID 131752239

Annuolide b

Structural Information

Molecular Formula
C15H20O3
SMILES
CC1C2CCC(=C)C3CC=C(C3C2OC1=O)CO
InChI
InChI=1S/C15H20O3/c1-8-3-5-12-9(2)15(17)18-14(12)13-10(7-16)4-6-11(8)13/h4,9,11-14,16H,1,3,5-7H2,2H3
InChIKey
PTSCCEBQBSUFRX-UHFFFAOYSA-N
Compound name
9-(hydroxymethyl)-3-methyl-6-methylidene-3,3a,4,5,6a,7,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.14125 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 156.2
[M+Na]+ 271.13047 162.5
[M-H]- 247.13397 162.1
[M+NH4]+ 266.17507 176.3
[M+K]+ 287.10441 161.6
[M+H-H2O]+ 231.13851 153.6
[M+HCOO]- 293.13945 172.0
[M+CH3COO]- 307.15510 195.1
[M+Na-2H]- 269.11592 155.4
[M]+ 248.14070 152.0
[M]- 248.14180 152.0
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.