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]+ 371.14891 185.1
[M+Na]+ 393.13085 197.6
[M+NH4]+ 388.17545 192.0
[M+K]+ 409.10479 196.0
[M-H]- 369.13435 191.7
[M+Na-2H]- 391.11630 185.9
[M]+ 370.14108 188.8
[M]- 370.14218 188.8
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.