CID 5089295

Prochamazulenogenin

Structural Information

Molecular Formula
C15H20O3
SMILES
CC1C2CCC(C3=CCC(=C3C2OC1=O)C)(C)O
InChI
InChI=1S/C15H20O3/c1-8-4-5-11-12(8)13-10(6-7-15(11,3)17)9(2)14(16)18-13/h5,9-10,13,17H,4,6-7H2,1-3H3
InChIKey
BXBCLQRTBGRRDB-UHFFFAOYSA-N
Compound name
6-hydroxy-3,6,9-trimethyl-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

248.14125 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 154.9
[M+Na]+ 271.13047 162.9
[M-H]- 247.13397 161.5
[M+NH4]+ 266.17507 177.2
[M+K]+ 287.10441 162.1
[M+H-H2O]+ 231.13851 152.5
[M+HCOO]- 293.13945 171.9
[M+CH3COO]- 307.15510 167.4
[M+Na-2H]- 269.11592 156.2
[M]+ 248.14070 153.0
[M]- 248.14180 153.0
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