CID 247472

N-(4,5-dimethyl-2-nitrophenyl)acetamide

Structural Information

Molecular Formula
C10H12N2O3
SMILES
CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C
InChI
InChI=1S/C10H12N2O3/c1-6-4-9(11-8(3)13)10(12(14)15)5-7(6)2/h4-5H,1-3H3,(H,11,13)
InChIKey
DNUIVCQNUPJXIA-UHFFFAOYSA-N
Compound name
N-(4,5-dimethyl-2-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

208.0848 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09208 143.5
[M+Na]+ 231.07402 156.0
[M+NH4]+ 226.11862 150.9
[M+K]+ 247.04796 153.4
[M-H]- 207.07752 146.8
[M+Na-2H]- 229.05947 148.9
[M]+ 208.08425 146.0
[M]- 208.08535 146.0
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