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]+ 212.06659 139.6
[M+Na]+ 234.04853 145.1
[M-H]- 210.05203 142.9
[M+NH4]+ 229.09313 156.3
[M+K]+ 250.02247 140.2
[M+H-H2O]+ 194.05657 137.3
[M+HCOO]- 256.05751 166.6
[M+CH3COO]- 270.07316 182.9
[M+Na-2H]- 232.03398 147.2
[M]+ 211.05876 137.1
[M]- 211.05986 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.