CID 68084493

2-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl)acetic acid

Structural Information

Molecular Formula
C9H9BO4
SMILES
B1(C2=CC=CC=C2C(O1)CC(=O)O)O
InChI
InChI=1S/C9H9BO4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-4,8,13H,5H2,(H,11,12)
InChIKey
ZJBJWSMUEYQHQD-UHFFFAOYSA-N
Compound name
2-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.05939 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06667 137.3
[M+Na]+ 215.04861 148.0
[M+NH4]+ 210.09321 144.9
[M+K]+ 231.02255 145.9
[M-H]- 191.05211 138.6
[M+Na-2H]- 213.03406 140.2
[M]+ 192.05884 138.9
[M]- 192.05994 138.9
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.