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]+ 319.190376 174.7
[M+Na]+ 341.172318 181.2
[M-H]- 317.175824 177.9
[M+NH4]+ 336.216923 189.9
[M+K]+ 357.146258 178.0
[M+H-H2O]+ 301.180360 168.3
[M+HCOO]- 363.181301 194.3
[M+CH3COO]- 377.196951 211.7
[M+Na-2H]- 339.157766 172.0
[M]+ 318.18255142 180.1
[M]- 318.18364858 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.