CID 50898347

1268335-33-6

Structural Information

Molecular Formula
C10H11BO4
SMILES
B1(C2=C(CO1)C=CC=C2CCC(=O)O)O
InChI
InChI=1S/C10H11BO4/c12-9(13)5-4-7-2-1-3-8-6-15-11(14)10(7)8/h1-3,14H,4-6H2,(H,12,13)
InChIKey
CEVOKIPNIZQANN-UHFFFAOYSA-N
Compound name
3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

206.07504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08232 141.0
[M+Na]+ 229.06426 148.8
[M-H]- 205.06776 143.7
[M+NH4]+ 224.10886 160.3
[M+K]+ 245.03820 147.2
[M+H-H2O]+ 189.07230 136.3
[M+HCOO]- 251.07324 160.3
[M+CH3COO]- 265.08889 180.0
[M+Na-2H]- 227.04971 145.7
[M]+ 206.07449 141.8
[M]- 206.07559 141.8
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

No patent data available for this compound.