CID 5280344

5677-55-4

Structural Information

Molecular Formula
C19H28O4
SMILES
CC1=C(C(=C(C(=C1O)OC)OC)O)C/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C19H28O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10,20-21H,7,9,11H2,1-6H3/b13-10+
InChIKey
RNUCUWWMTTWKAH-JLHYYAGUSA-N
Compound name
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

101
References

246
Patents

320.19876 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20604 177.6
[M+Na]+ 343.18798 184.4
[M-H]- 319.19148 178.6
[M+NH4]+ 338.23258 191.7
[M+K]+ 359.16192 180.7
[M+H-H2O]+ 303.19602 171.6
[M+HCOO]- 365.19696 195.0
[M+CH3COO]- 379.21261 209.4
[M+Na-2H]- 341.17343 173.8
[M]+ 320.19821 182.3
[M]- 320.19931 182.3
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