CID 5480994

Hydrazine,1-methoxyoxalyl-2-(4-nitrophenyl)-

Structural Information

Molecular Formula
C9H9N3O5
SMILES
COC(=O)C(=O)NNC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O5/c1-17-9(14)8(13)11-10-6-2-4-7(5-3-6)12(15)16/h2-5,10H,1H3,(H,11,13)
InChIKey
XXYCDMKUNJEFDJ-UHFFFAOYSA-N
Compound name
methyl 2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.05421 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06149 146.2
[M+Na]+ 262.04343 151.2
[M-H]- 238.04693 149.9
[M+NH4]+ 257.08803 161.9
[M+K]+ 278.01737 146.9
[M+H-H2O]+ 222.05147 143.6
[M+HCOO]- 284.05241 172.9
[M+CH3COO]- 298.06806 187.2
[M+Na-2H]- 260.02888 153.2
[M]+ 239.05366 144.9
[M]- 239.05476 144.9
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

No patent data available for this compound.