CID 67143

N-methyl-n-(4-nitrophenyl)acetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

194.06914 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe