CID 14018337

Fragransol d

Structural Information

Molecular Formula
C21H22O6
SMILES
CC1C(OC2=C1C=C(C=C2OC)/C=C/CO)C3=CC4=C(C(=C3)OC)OCO4
InChI
InChI=1S/C21H22O6/c1-12-15-7-13(5-4-6-22)8-16(23-2)20(15)27-19(12)14-9-17(24-3)21-18(10-14)25-11-26-21/h4-5,7-10,12,19,22H,6,11H2,1-3H3/b5-4+
InChIKey
ALMMZKOPVITQNK-SNAWJCMRSA-N
Compound name
(E)-3-[7-methoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-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

370.14163 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.148906 186.8
[M+Na]+ 393.130848 195.8
[M-H]- 369.134354 196.8
[M+NH4]+ 388.175453 200.7
[M+K]+ 409.104788 194.9
[M+H-H2O]+ 353.138890 182.2
[M+HCOO]- 415.139831 203.8
[M+CH3COO]- 429.155481 215.9
[M+Na-2H]- 391.116296 187.5
[M]+ 370.14108142 194.9
[M]- 370.14217858 194.9
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.