CID 138975

N,n-dimethyl-4-nitrobenzamide

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CN(C)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O3/c1-10(2)9(12)7-3-5-8(6-4-7)11(13)14/h3-6H,1-2H3
InChIKey
WYOXDERVKORKJN-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

194.06914 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 138.8
[M+Na]+ 217.05836 150.9
[M+NH4]+ 212.10296 146.6
[M+K]+ 233.03230 148.7
[M-H]- 193.06186 142.3
[M+Na-2H]- 215.04381 145.2
[M]+ 194.06859 141.2
[M]- 194.06969 141.2
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