CID 50999137

2-(4-boronophenyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C10H13BO4
SMILES
B(C1=CC=C(C=C1)C(C)(C)C(=O)O)(O)O
InChI
InChI=1S/C10H13BO4/c1-10(2,9(12)13)7-3-5-8(6-4-7)11(14)15/h3-6,14-15H,1-2H3,(H,12,13)
InChIKey
QAMVLOFDQNAZOP-UHFFFAOYSA-N
Compound name
2-(4-boronophenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

208.09068 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09796 143.3
[M+Na]+ 231.07990 149.6
[M-H]- 207.08340 143.1
[M+NH4]+ 226.12450 160.1
[M+K]+ 247.05384 147.7
[M+H-H2O]+ 191.08794 138.6
[M+HCOO]- 253.08888 160.3
[M+CH3COO]- 267.10453 179.7
[M+Na-2H]- 229.06535 146.9
[M]+ 208.09013 142.0
[M]- 208.09123 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe