CID 3338972

116496-79-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0848 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09208 143.5
[M+Na]+ 231.07402 149.6
[M-H]- 207.07752 148.7
[M+NH4]+ 226.11862 161.9
[M+K]+ 247.04796 145.4
[M+H-H2O]+ 191.08206 141.6
[M+HCOO]- 253.08300 169.9
[M+CH3COO]- 267.09865 186.2
[M+Na-2H]- 229.05947 149.7
[M]+ 208.08425 143.5
[M]- 208.08535 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.