CID 13895575

Dihydrocumambrin a

Structural Information

Molecular Formula
C17H24O5
SMILES
CC1C2C(CC(C3CC=C(C3C2OC1=O)C)(C)O)OC(=O)C
InChI
InChI=1S/C17H24O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h5,9,11-15,20H,6-7H2,1-4H3
InChIKey
ACKIMLHJQRKFGM-UHFFFAOYSA-N
Compound name
(6-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,6a,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

308.16238 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16966 168.3
[M+Na]+ 331.15160 174.3
[M+NH4]+ 326.19620 175.4
[M+K]+ 347.12554 174.0
[M-H]- 307.15510 168.6
[M+Na-2H]- 329.13705 167.4
[M]+ 308.16183 169.0
[M]- 308.16293 169.0
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.