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

1
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

patents stripe