CID 3022143

Butanoic acid, 4-(benzoylamino)-4-oxo-

Structural Information

Molecular Formula
C11H11NO4
SMILES
C1=CC=C(C=C1)C(=O)NC(=O)CCC(=O)O
InChI
InChI=1S/C11H11NO4/c13-9(6-7-10(14)15)12-11(16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)(H,12,13,16)
InChIKey
BTMTUVUQGHSUMT-UHFFFAOYSA-N
Compound name
4-benzamido-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

221.0688 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.076076 147.5
[M+Na]+ 244.058018 152.7
[M-H]- 220.061524 149.5
[M+NH4]+ 239.102623 164.2
[M+K]+ 260.031958 151.2
[M+H-H2O]+ 204.066060 141.0
[M+HCOO]- 266.067001 169.4
[M+CH3COO]- 280.082651 186.6
[M+Na-2H]- 242.043466 150.7
[M]+ 221.06825142 147.0
[M]- 221.06934858 147.0
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

patents stripe