CID 14584690

6-[(e)-5,6-dimethylhept-3-en-2-yl]-3a-methoxy-5a-methyl-4,5,6,7,8,8a-hexahydrocyclopenta[e][1]benzofuran-2-one

Structural Information

Molecular Formula
C22H34O3
SMILES
CC(C)C(C)/C=C/C(C)C1CCC2C1(CCC3(C2=CC(=O)O3)OC)C
InChI
InChI=1S/C22H34O3/c1-14(2)15(3)7-8-16(4)17-9-10-18-19-13-20(23)25-22(19,24-6)12-11-21(17,18)5/h7-8,13-18H,9-12H2,1-6H3/b8-7+
InChIKey
FCFUSYHGZLEMJM-BQYQJAHWSA-N
Compound name
6-[(E)-5,6-dimethylhept-3-en-2-yl]-3a-methoxy-5a-methyl-4,5,6,7,8,8a-hexahydrocyclopenta[e][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

346.2508 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.25808 189.3
[M+Na]+ 369.24002 194.0
[M-H]- 345.24352 193.8
[M+NH4]+ 364.28462 210.8
[M+K]+ 385.21396 191.2
[M+H-H2O]+ 329.24806 185.7
[M+HCOO]- 391.24900 201.5
[M+CH3COO]- 405.26465 215.9
[M+Na-2H]- 367.22547 185.6
[M]+ 346.25025 190.2
[M]- 346.25135 190.2
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.