CID 15956537

5-(4,8-dimethyl-nona-3,7-dienyl)-2,3-dimethoxy-[1,4]benzoquinone

Structural Information

Molecular Formula
C19H26O4
SMILES
CC(=CCC/C(=C/CCC1=CC(=O)C(=C(C1=O)OC)OC)/C)C
InChI
InChI=1S/C19H26O4/c1-13(2)8-6-9-14(3)10-7-11-15-12-16(20)18(22-4)19(23-5)17(15)21/h8,10,12H,6-7,9,11H2,1-5H3/b14-10+
InChIKey
BBVZEWLULQKSCZ-GXDHUFHOSA-N
Compound name
5-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.1831 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19038 174.7
[M+Na]+ 341.17232 181.2
[M-H]- 317.17582 177.9
[M+NH4]+ 336.21692 189.9
[M+K]+ 357.14626 178.0
[M+H-H2O]+ 301.18036 168.3
[M+HCOO]- 363.18130 194.3
[M+CH3COO]- 377.19695 211.7
[M+Na-2H]- 339.15777 172.0
[M]+ 318.18255 180.1
[M]- 318.18365 180.1
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.