CID 286503

Nsc144953

Structural Information

Molecular Formula
C10H12BNO4
SMILES
B1(C2=C(CO1)C=CC(=C2)NCCC(=O)O)O
InChI
InChI=1S/C10H12BNO4/c13-10(14)3-4-12-8-2-1-7-6-16-11(15)9(7)5-8/h1-2,5,12,15H,3-4,6H2,(H,13,14)
InChIKey
JNXHFVYEZNAANV-UHFFFAOYSA-N
Compound name
3-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.08594 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09322 144.5
[M+Na]+ 244.07516 151.3
[M-H]- 220.07866 147.1
[M+NH4]+ 239.11976 162.7
[M+K]+ 260.04910 149.7
[M+H-H2O]+ 204.08320 139.2
[M+HCOO]- 266.08414 164.8
[M+CH3COO]- 280.09979 185.1
[M+Na-2H]- 242.06061 149.6
[M]+ 221.08539 144.6
[M]- 221.08649 144.6
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.