CID 131751451

Fragransin d3

Structural Information

Molecular Formula
C22H28O6
SMILES
CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C(=C3)OC)O)OC)C
InChI
InChI=1S/C22H28O6/c1-12-13(2)22(15-10-18(26-5)20(23)19(11-15)27-6)28-21(12)14-7-8-16(24-3)17(9-14)25-4/h7-13,21-23H,1-6H3
InChIKey
AGYZMBXYRZJNNA-UHFFFAOYSA-N
Compound name
4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
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 191.8
[M+Na]+ 411.17782 200.1
[M-H]- 387.18132 202.1
[M+NH4]+ 406.22242 204.0
[M+K]+ 427.15176 198.8
[M+H-H2O]+ 371.18586 184.1
[M+HCOO]- 433.18680 211.3
[M+CH3COO]- 447.20245 222.5
[M+Na-2H]- 409.16327 188.8
[M]+ 388.18805 199.7
[M]- 388.18915 199.7
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.