CID 393670

Ethyl 2-amino-3-nitrobenzoate

Structural Information

Molecular Formula
C9H10N2O4
SMILES
CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])N
InChI
InChI=1S/C9H10N2O4/c1-2-15-9(12)6-4-3-5-7(8(6)10)11(13)14/h3-5H,2,10H2,1H3
InChIKey
MIVXXTKDCKQHCD-UHFFFAOYSA-N
Compound name
ethyl 2-amino-3-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

210.06406 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 141.8
[M+Na]+ 233.05328 148.8
[M-H]- 209.05678 145.4
[M+NH4]+ 228.09788 159.3
[M+K]+ 249.02722 143.7
[M+H-H2O]+ 193.06132 140.1
[M+HCOO]- 255.06226 167.5
[M+CH3COO]- 269.07791 182.1
[M+Na-2H]- 231.03873 147.7
[M]+ 210.06351 140.9
[M]- 210.06461 140.9
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