CID 98548

41242-36-8

Structural Information

Molecular Formula
C13H15NO4
SMILES
CC(=O)C1=CC=CC=C1NC(=O)CCC(=O)OC
InChI
InChI=1S/C13H15NO4/c1-9(15)10-5-3-4-6-11(10)14-12(16)7-8-13(17)18-2/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKey
DAGKPVMCRDOMSU-UHFFFAOYSA-N
Compound name
methyl 4-(2-acetylanilino)-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.10011 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10739 156.3
[M+Na]+ 272.08933 165.7
[M+NH4]+ 267.13393 161.8
[M+K]+ 288.06327 161.6
[M-H]- 248.09283 156.3
[M+Na-2H]- 270.07478 160.2
[M]+ 249.09956 157.2
[M]- 249.10066 157.2
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.