CID 2261647

Ethyl [(2-methyl-5-nitrophenyl)carbamoyl]formate

Structural Information

Molecular Formula
C11H12N2O5
SMILES
CCOC(=O)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C
InChI
InChI=1S/C11H12N2O5/c1-3-18-11(15)10(14)12-9-6-8(13(16)17)5-4-7(9)2/h4-6H,3H2,1-2H3,(H,12,14)
InChIKey
LXMZRMFHPXLTQE-UHFFFAOYSA-N
Compound name
ethyl 2-(2-methyl-5-nitroanilino)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

252.07462 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.081896 152.6
[M+Na]+ 275.063838 158.8
[M-H]- 251.067344 156.5
[M+NH4]+ 270.108443 168.6
[M+K]+ 291.037778 154.0
[M+H-H2O]+ 235.071880 150.5
[M+HCOO]- 297.072821 177.7
[M+CH3COO]- 311.088471 189.4
[M+Na-2H]- 273.049286 157.5
[M]+ 252.07407142 153.3
[M]- 252.07516858 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.