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

22
Patents

192.05939 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06667 136.2
[M+Na]+ 215.04861 144.4
[M-H]- 191.05211 139.1
[M+NH4]+ 210.09321 156.1
[M+K]+ 231.02255 143.1
[M+H-H2O]+ 175.05665 131.7
[M+HCOO]- 237.05759 155.8
[M+CH3COO]- 251.07324 176.9
[M+Na-2H]- 213.03406 141.4
[M]+ 192.05884 136.7
[M]- 192.05994 136.7
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

patents stripe