CID 46199574

2-aminobenzo[d]oxazol-5-ylboronic acid hydrochloride

Structural Information

Molecular Formula
C7H7BN2O3
SMILES
B(C1=CC2=C(C=C1)OC(=N2)N)(O)O
InChI
InChI=1S/C7H7BN2O3/c9-7-10-5-3-4(8(11)12)1-2-6(5)13-7/h1-3,11-12H,(H2,9,10)
InChIKey
JSQIHINVLSYFRO-UHFFFAOYSA-N
Compound name
(2-amino-1,3-benzoxazol-5-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

178.05498 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.06226 131.5
[M+Na]+ 201.04420 141.5
[M-H]- 177.04770 133.5
[M+NH4]+ 196.08880 150.3
[M+K]+ 217.01814 139.8
[M+H-H2O]+ 161.05224 125.8
[M+HCOO]- 223.05318 153.4
[M+CH3COO]- 237.06883 176.2
[M+Na-2H]- 199.02965 138.8
[M]+ 178.05443 132.2
[M]- 178.05553 132.2
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