CID 21555

5428-05-7

Structural Information

Molecular Formula
C10H12N2O4
SMILES
CCOC(=O)CNC1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O4/c1-2-16-10(13)7-11-8-5-3-4-6-9(8)12(14)15/h3-6,11H,2,7H2,1H3
InChIKey
GDBQBQLTUSNRBO-UHFFFAOYSA-N
Compound name
ethyl 2-(2-nitroanilino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07971 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.086986 146.6
[M+Na]+ 247.068928 152.3
[M-H]- 223.072434 150.2
[M+NH4]+ 242.113533 163.5
[M+K]+ 263.042868 147.2
[M+H-H2O]+ 207.076970 144.5
[M+HCOO]- 269.077911 172.6
[M+CH3COO]- 283.093561 184.7
[M+Na-2H]- 245.054376 153.7
[M]+ 224.07916142 146.7
[M]- 224.08025858 146.7
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

No patent data available for this compound.