CID 2769393

480424-95-1

Structural Information

Molecular Formula
C10H12BNO5
SMILES
B(C1=CC=C(C=C1)NC(=O)CCC(=O)O)(O)O
InChI
InChI=1S/C10H12BNO5/c13-9(5-6-10(14)15)12-8-3-1-7(2-4-8)11(16)17/h1-4,16-17H,5-6H2,(H,12,13)(H,14,15)
InChIKey
VYUCUZOJUHAJLU-UHFFFAOYSA-N
Compound name
4-(4-boronoanilino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

237.08086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08814 151.2
[M+Na]+ 260.07008 158.8
[M+NH4]+ 255.11468 155.6
[M+K]+ 276.04402 156.8
[M-H]- 236.07358 149.4
[M+Na-2H]- 258.05553 153.4
[M]+ 237.08031 151.1
[M]- 237.08141 151.1
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