CID 131753105

Myristicanol b

Structural Information

Molecular Formula
C22H28O7
SMILES
CC(C(C1=CC(=C(C=C1)OC)OC)O)OC2=C(C=C(C=C2OC)/C=C\CO)OC
InChI
InChI=1S/C22H28O7/c1-14(21(24)16-8-9-17(25-2)18(13-16)26-3)29-22-19(27-4)11-15(7-6-10-23)12-20(22)28-5/h6-9,11-14,21,23-24H,10H2,1-5H3/b7-6-
InChIKey
JTUBQGXAXOEMNN-SREVYHEPSA-N
Compound name
1-(3,4-dimethoxyphenyl)-2-[4-[(Z)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

404.1835 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.190776 195.6
[M+Na]+ 427.172718 201.0
[M-H]- 403.176224 199.6
[M+NH4]+ 422.217323 205.2
[M+K]+ 443.146658 199.2
[M+H-H2O]+ 387.180760 186.9
[M+HCOO]- 449.181701 213.6
[M+CH3COO]- 463.197351 222.1
[M+Na-2H]- 425.158166 193.0
[M]+ 404.18295142 203.7
[M]- 404.18404858 203.7
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

patents stripe