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 186.8
[M+Na]+ 393.13085 195.8
[M-H]- 369.13435 196.8
[M+NH4]+ 388.17545 200.7
[M+K]+ 409.10479 194.9
[M+H-H2O]+ 353.13889 182.2
[M+HCOO]- 415.13983 203.8
[M+CH3COO]- 429.15548 215.9
[M+Na-2H]- 391.11630 187.5
[M]+ 370.14108 194.9
[M]- 370.14218 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.