CID 3019923

84522-11-2

Structural Information

Molecular Formula
C11H13NO4
SMILES
COC1=CC=C(C=C1)NC(=O)CC(=O)OC
InChI
InChI=1S/C11H13NO4/c1-15-9-5-3-8(4-6-9)12-10(13)7-11(14)16-2/h3-6H,7H2,1-2H3,(H,12,13)
InChIKey
OYECIKAJRJDBLD-UHFFFAOYSA-N
Compound name
methyl 3-(4-methoxyanilino)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.08446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 147.5
[M+Na]+ 246.073678 154.0
[M-H]- 222.077184 151.2
[M+NH4]+ 241.118283 165.4
[M+K]+ 262.047618 153.6
[M+H-H2O]+ 206.081720 140.8
[M+HCOO]- 268.082661 171.8
[M+CH3COO]- 282.098311 190.2
[M+Na-2H]- 244.059126 151.8
[M]+ 223.08391142 150.7
[M]- 223.08500858 150.7
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.