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]+ 253.08190 152.6
[M+Na]+ 275.06384 158.8
[M-H]- 251.06734 156.5
[M+NH4]+ 270.10844 168.6
[M+K]+ 291.03778 154.0
[M+H-H2O]+ 235.07188 150.5
[M+HCOO]- 297.07282 177.7
[M+CH3COO]- 311.08847 189.4
[M+Na-2H]- 273.04929 157.5
[M]+ 252.07407 153.3
[M]- 252.07517 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.