CID 38355905

Chebi:139459

Structural Information

Molecular Formula
C21H24O5
SMILES
C/C(=C\COC1=CC=C(C=C1)CCC2=CC3=C(C(=C2)OC)OCO3)/CO
InChI
InChI=1S/C21H24O5/c1-15(13-22)9-10-24-18-7-5-16(6-8-18)3-4-17-11-19(23-2)21-20(12-17)25-14-26-21/h5-9,11-12,22H,3-4,10,13-14H2,1-2H3/b15-9+
InChIKey
SJLGMDBWJJNQEB-OQLLNIDSSA-N
Compound name
(E)-4-[4-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-2-methylbut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.16238 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16966 186.4
[M+Na]+ 379.15160 192.3
[M-H]- 355.15510 193.6
[M+NH4]+ 374.19620 198.6
[M+K]+ 395.12554 190.6
[M+H-H2O]+ 339.15964 179.1
[M+HCOO]- 401.16058 204.3
[M+CH3COO]- 415.17623 211.9
[M+Na-2H]- 377.13705 188.0
[M]+ 356.16183 192.3
[M]- 356.16293 192.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.