CID 3019147

2-methoxyethyl 4-amino-3-nitrobenzoate

Structural Information

Molecular Formula
C10H12N2O5
SMILES
COCCOC(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O5/c1-16-4-5-17-10(13)7-2-3-8(11)9(6-7)12(14)15/h2-3,6H,4-5,11H2,1H3
InChIKey
USJSCCZETRWEQE-UHFFFAOYSA-N
Compound name
2-methoxyethyl 4-amino-3-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

240.07462 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.081896 149.3
[M+Na]+ 263.063838 155.7
[M-H]- 239.067344 152.8
[M+NH4]+ 258.108443 165.5
[M+K]+ 279.037778 150.9
[M+H-H2O]+ 223.071880 147.2
[M+HCOO]- 285.072821 174.9
[M+CH3COO]- 299.088471 187.3
[M+Na-2H]- 261.049286 154.9
[M]+ 240.07407142 150.2
[M]- 240.07516858 150.2
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