CID 117015

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

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC1=C(C(=O)C(=C(C1=O)C)N(C)C)C
InChI
InChI=1S/C11H15NO2/c1-6-7(2)11(14)9(12(4)5)8(3)10(6)13/h1-5H3
InChIKey
AOKBCZUSVVIVSQ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 138.1
[M+Na]+ 216.09950 148.2
[M-H]- 192.10300 144.4
[M+NH4]+ 211.14410 159.3
[M+K]+ 232.07344 147.4
[M+H-H2O]+ 176.10754 132.9
[M+HCOO]- 238.10848 162.9
[M+CH3COO]- 252.12413 194.3
[M+Na-2H]- 214.08495 140.7
[M]+ 193.10973 141.3
[M]- 193.11083 141.3
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.