CID 74583

1826-56-8

Structural Information

Molecular Formula
C10H12N2O3
SMILES
CCN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C
InChI
InChI=1S/C10H12N2O3/c1-3-11(8(2)13)9-4-6-10(7-5-9)12(14)15/h4-7H,3H2,1-2H3
InChIKey
POGUNGMMMFNPOE-UHFFFAOYSA-N
Compound name
N-ethyl-N-(4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

208.0848 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.092076 143.5
[M+Na]+ 231.074018 149.6
[M-H]- 207.077524 148.7
[M+NH4]+ 226.118623 161.9
[M+K]+ 247.047958 145.4
[M+H-H2O]+ 191.082060 141.6
[M+HCOO]- 253.083001 169.9
[M+CH3COO]- 267.098651 186.2
[M+Na-2H]- 229.059466 149.7
[M]+ 208.08425142 143.5
[M]- 208.08534858 143.5
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