CID 457960

Damsine

Structural Information

Molecular Formula
C15H20O3
SMILES
CC1CCC2C(C3(C1CCC3=O)C)OC(=O)C2=C
InChI
InChI=1S/C15H20O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h8,10-11,13H,2,4-7H2,1,3H3
InChIKey
HPJYKMSFRBJOSW-UHFFFAOYSA-N
Compound name
6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.14125 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 154.7
[M+Na]+ 271.13047 161.8
[M-H]- 247.13397 161.8
[M+NH4]+ 266.17507 177.2
[M+K]+ 287.10441 160.4
[M+H-H2O]+ 231.13851 152.2
[M+HCOO]- 293.13945 170.6
[M+CH3COO]- 307.15510 196.7
[M+Na-2H]- 269.11592 154.7
[M]+ 248.14070 150.4
[M]- 248.14180 150.4
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

No patent data available for this compound.