CID 13895575

Chebi:174948

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 168.6
[M+Na]+ 331.15160 175.3
[M-H]- 307.15510 174.8
[M+NH4]+ 326.19620 188.5
[M+K]+ 347.12554 175.7
[M+H-H2O]+ 291.15964 166.5
[M+HCOO]- 353.16058 183.0
[M+CH3COO]- 367.17623 205.9
[M+Na-2H]- 329.13705 167.1
[M]+ 308.16183 167.8
[M]- 308.16293 167.8
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.