CID 4318080

Ethyl 4-hydrazinyl-3-nitrobenzoate

Structural Information

Molecular Formula
C9H11N3O4
SMILES
CCOC(=O)C1=CC(=C(C=C1)NN)[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O4/c1-2-16-9(13)6-3-4-7(11-10)8(5-6)12(14)15/h3-5,11H,2,10H2,1H3
InChIKey
MAQFPKZXKHGKQY-UHFFFAOYSA-N
Compound name
ethyl 4-hydrazinyl-3-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.07495 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08223 144.4
[M+Na]+ 248.06417 150.4
[M-H]- 224.06767 147.9
[M+NH4]+ 243.10877 160.9
[M+K]+ 264.03811 145.3
[M+H-H2O]+ 208.07221 142.2
[M+HCOO]- 270.07315 171.1
[M+CH3COO]- 284.08880 187.1
[M+Na-2H]- 246.04962 150.8
[M]+ 225.07440 142.7
[M]- 225.07550 142.7
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.