CID 117032

2-(diethylamino)-3,5,6-trimethyl-p-benzoquinone

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCN(CC)C1=C(C(=O)C(=C(C1=O)C)C)C
InChI
InChI=1S/C13H19NO2/c1-6-14(7-2)11-10(5)12(15)8(3)9(4)13(11)16/h6-7H2,1-5H3
InChIKey
LJUXHOKEUPIGRT-UHFFFAOYSA-N
Compound name
2-(diethylamino)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 150.8
[M+Na]+ 244.13081 163.0
[M+NH4]+ 239.17541 158.4
[M+K]+ 260.10475 157.0
[M-H]- 220.13431 153.2
[M+Na-2H]- 242.11626 155.4
[M]+ 221.14104 153.1
[M]- 221.14214 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.