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

97
Patents

194.06914 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 138.6
[M+Na]+ 217.058358 145.1
[M-H]- 193.061864 143.9
[M+NH4]+ 212.102963 157.5
[M+K]+ 233.032298 141.2
[M+H-H2O]+ 177.066400 136.9
[M+HCOO]- 239.067341 165.3
[M+CH3COO]- 253.082991 183.1
[M+Na-2H]- 215.043806 145.3
[M]+ 194.06859142 138.2
[M]- 194.06968858 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