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

13
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

literature stripe

Patent stripe

patents stripe