CID 140391

18522-98-0

Structural Information

Molecular Formula
C11H13NO3
SMILES
CCOC(=O)C(=O)NC1=CC=C(C=C1)C
InChI
InChI=1S/C11H13NO3/c1-3-15-11(14)10(13)12-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,12,13)
InChIKey
AAMWAWJQPFWTEN-UHFFFAOYSA-N
Compound name
ethyl 2-(4-methylanilino)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

207.08954 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 145.0
[M+Na]+ 230.07876 151.7
[M-H]- 206.08226 148.8
[M+NH4]+ 225.12336 163.7
[M+K]+ 246.05270 150.7
[M+H-H2O]+ 190.08680 138.6
[M+HCOO]- 252.08774 169.0
[M+CH3COO]- 266.10339 187.4
[M+Na-2H]- 228.06421 149.2
[M]+ 207.08899 146.6
[M]- 207.09009 146.6
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

patents stripe