CID 97465

Urea, ((m-nitrobenzyl)oxy)-

Structural Information

Molecular Formula
C8H9N3O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])CONC(=O)N
InChI
InChI=1S/C8H9N3O4/c9-8(12)10-15-5-6-2-1-3-7(4-6)11(13)14/h1-4H,5H2,(H3,9,10,12)
InChIKey
MGSHXJQWMVRTIE-UHFFFAOYSA-N
Compound name
(3-nitrophenyl)methoxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.05931 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.066586 139.6
[M+Na]+ 234.048528 145.1
[M-H]- 210.052034 142.9
[M+NH4]+ 229.093133 156.3
[M+K]+ 250.022468 140.2
[M+H-H2O]+ 194.056570 137.3
[M+HCOO]- 256.057511 166.6
[M+CH3COO]- 270.073161 182.9
[M+Na-2H]- 232.033976 147.2
[M]+ 211.05876142 137.1
[M]- 211.05985858 137.1
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.