CID 131751288

1b-furanoeudesm-4(15)-en-1-ol acetate

Structural Information

Molecular Formula
C17H22O3
SMILES
CC1=COC2=C1CC3C(=C)CCC(C3(C2)C)OC(=O)C
InChI
InChI=1S/C17H22O3/c1-10-5-6-16(20-12(3)18)17(4)8-15-13(7-14(10)17)11(2)9-19-15/h9,14,16H,1,5-8H2,2-4H3
InChIKey
RVODLNSWAHTRAO-UHFFFAOYSA-N
Compound name
(3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1569 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.16418 164.1
[M+Na]+ 297.14612 175.0
[M+NH4]+ 292.19072 174.2
[M+K]+ 313.12006 168.7
[M-H]- 273.14962 167.2
[M+Na-2H]- 295.13157 166.5
[M]+ 274.15635 166.6
[M]- 274.15745 166.6
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.