CID 347759

N,n-dimethyl-3-nitrobenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

194.06914 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 138.6
[M+Na]+ 217.05836 145.1
[M-H]- 193.06186 143.9
[M+NH4]+ 212.10296 157.5
[M+K]+ 233.03230 141.2
[M+H-H2O]+ 177.06640 136.9
[M+HCOO]- 239.06734 165.3
[M+CH3COO]- 253.08299 183.1
[M+Na-2H]- 215.04381 145.3
[M]+ 194.06859 138.2
[M]- 194.06969 138.2
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

patents stripe