CID 170166

N-(2,4-dimethyl-3-nitrophenyl)acetamide

Structural Information

Molecular Formula
C10H12N2O3
SMILES
CC1=C(C(=C(C=C1)NC(=O)C)C)[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O3/c1-6-4-5-9(11-8(3)13)7(2)10(6)12(14)15/h4-5H,1-3H3,(H,11,13)
InChIKey
UCPGMSZAKZKWRS-UHFFFAOYSA-N
Compound name
N-(2,4-dimethyl-3-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

208.0848 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.092076 142.5
[M+Na]+ 231.074018 150.2
[M-H]- 207.077524 146.9
[M+NH4]+ 226.118623 160.9
[M+K]+ 247.047958 144.7
[M+H-H2O]+ 191.082060 141.3
[M+HCOO]- 253.083001 168.3
[M+CH3COO]- 267.098651 184.9
[M+Na-2H]- 229.059466 148.2
[M]+ 208.08425142 142.0
[M]- 208.08534858 142.0
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