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 147.6
[M+Na]+ 244.13081 156.8
[M-H]- 220.13431 153.5
[M+NH4]+ 239.17541 167.6
[M+K]+ 260.10475 155.5
[M+H-H2O]+ 204.13885 142.0
[M+HCOO]- 266.13979 171.8
[M+CH3COO]- 280.15544 200.4
[M+Na-2H]- 242.11626 149.1
[M]+ 221.14104 151.6
[M]- 221.14214 151.6
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.