CID 14015414

Fragransin d1

Structural Information

Molecular Formula
C22H28O6
SMILES
CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C(=C3)OC)OC)OC)C
InChI
InChI=1S/C22H28O6/c1-12-13(2)21(15-10-18(25-4)22(27-6)19(11-15)26-5)28-20(12)14-7-8-16(23)17(9-14)24-3/h7-13,20-21,23H,1-6H3
InChIKey
XEDYWOVSWKYCOS-UHFFFAOYSA-N
Compound name
4-[3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

388.1886 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19588 193.1
[M+Na]+ 411.17782 206.3
[M+NH4]+ 406.22242 199.2
[M+K]+ 427.15176 202.5
[M-H]- 387.18132 198.8
[M+Na-2H]- 409.16327 197.6
[M]+ 388.18805 196.6
[M]- 388.18915 196.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.