CID 15956538

2,3-dimethoxy-5-undecyl-1,4-benzoquinone

Structural Information

Molecular Formula
C19H30O4
SMILES
CCCCCCCCCCCC1=CC(=O)C(=C(C1=O)OC)OC
InChI
InChI=1S/C19H30O4/c1-4-5-6-7-8-9-10-11-12-13-15-14-16(20)18(22-2)19(23-3)17(15)21/h14H,4-13H2,1-3H3
InChIKey
QVGMXSJXBAUTAS-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-5-undecylcyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.21442 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.22170 178.2
[M+Na]+ 345.20364 184.4
[M-H]- 321.20714 181.0
[M+NH4]+ 340.24824 193.3
[M+K]+ 361.17758 181.4
[M+H-H2O]+ 305.21168 171.1
[M+HCOO]- 367.21262 199.2
[M+CH3COO]- 381.22827 212.9
[M+Na-2H]- 343.18909 177.7
[M]+ 322.21387 186.4
[M]- 322.21497 186.4
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.