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]+ 309.169656 168.6
[M+Na]+ 331.151598 175.3
[M-H]- 307.155104 174.8
[M+NH4]+ 326.196203 188.5
[M+K]+ 347.125538 175.7
[M+H-H2O]+ 291.159640 166.5
[M+HCOO]- 353.160581 183.0
[M+CH3COO]- 367.176231 205.9
[M+Na-2H]- 329.137046 167.1
[M]+ 308.16183142 167.8
[M]- 308.16292858 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.