CID 199283

P-benzoquinone, 2-(dimethylamino)-

Structural Information

Molecular Formula
C8H9NO2
SMILES
CN(C)C1=CC(=O)C=CC1=O
InChI
InChI=1S/C8H9NO2/c1-9(2)7-5-6(10)3-4-8(7)11/h3-5H,1-2H3
InChIKey
IESVMFPPSWMEEE-UHFFFAOYSA-N
Compound name
2-(dimethylamino)cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

151.06332 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 127.0
[M+Na]+ 174.05254 135.5
[M-H]- 150.05604 132.7
[M+NH4]+ 169.09714 148.9
[M+K]+ 190.02648 135.4
[M+H-H2O]+ 134.06058 121.5
[M+HCOO]- 196.06152 152.9
[M+CH3COO]- 210.07717 181.5
[M+Na-2H]- 172.03799 133.1
[M]+ 151.06277 127.9
[M]- 151.06387 127.9
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

patents stripe