CID 14584690

Schembl31030982

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

1
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

patents stripe