CID 15956541

2,3-dimethoxy-5-(4-methylpent-3-enyl)-1,4-benzoquinone

Structural Information

Molecular Formula
C14H18O4
SMILES
CC(=CCCC1=CC(=O)C(=C(C1=O)OC)OC)C
InChI
InChI=1S/C14H18O4/c1-9(2)6-5-7-10-8-11(15)13(17-3)14(18-4)12(10)16/h6,8H,5,7H2,1-4H3
InChIKey
IPHPKCQOQFXKKF-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-5-(4-methylpent-3-enyl)cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.12051 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12779 153.4
[M+Na]+ 273.10973 161.9
[M-H]- 249.11323 157.4
[M+NH4]+ 268.15433 171.4
[M+K]+ 289.08367 160.0
[M+H-H2O]+ 233.11777 147.7
[M+HCOO]- 295.11871 175.4
[M+CH3COO]- 309.13436 197.3
[M+Na-2H]- 271.09518 154.4
[M]+ 250.11996 158.4
[M]- 250.12106 158.4
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.