CID 14018335

Fragransol c

Structural Information

Molecular Formula
C21H24O5
SMILES
CC1C(OC2=C1C=C(C=C2OC)/C=C/CO)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C21H24O5/c1-13-16-10-14(6-5-9-22)11-19(25-4)21(16)26-20(13)15-7-8-17(23-2)18(12-15)24-3/h5-8,10-13,20,22H,9H2,1-4H3/b6-5+
InChIKey
JRYJEMVPVZEOPW-AATRIKPKSA-N
Compound name
(E)-3-[2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

356.16238 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16966 184.9
[M+Na]+ 379.15160 193.6
[M-H]- 355.15510 192.5
[M+NH4]+ 374.19620 199.4
[M+K]+ 395.12554 190.6
[M+H-H2O]+ 339.15964 177.9
[M+HCOO]- 401.16058 204.6
[M+CH3COO]- 415.17623 214.6
[M+Na-2H]- 377.13705 185.1
[M]+ 356.16183 192.1
[M]- 356.16293 192.1
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.