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

1
Patents

221.0688 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 148.4
[M+Na]+ 244.05802 157.3
[M+NH4]+ 239.10262 153.9
[M+K]+ 260.03196 153.8
[M-H]- 220.06152 148.0
[M+Na-2H]- 242.04347 152.4
[M]+ 221.06825 149.0
[M]- 221.06935 149.0
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