CID 3856118

3-(3-boronophenyl)propanoic acid

Structural Information

Molecular Formula
C9H11BO4
SMILES
B(C1=CC(=CC=C1)CCC(=O)O)(O)O
InChI
InChI=1S/C9H11BO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-3,6,13-14H,4-5H2,(H,11,12)
InChIKey
JJBQHOJBARDWRZ-UHFFFAOYSA-N
Compound name
3-(3-boronophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

194.07504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08232 140.6
[M+Na]+ 217.06426 150.5
[M+NH4]+ 212.10886 146.7
[M+K]+ 233.03820 147.1
[M-H]- 193.06776 139.7
[M+Na-2H]- 215.04971 144.4
[M]+ 194.07449 141.3
[M]- 194.07559 141.3
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