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]+ 179.062256 131.5
[M+Na]+ 201.044198 141.5
[M-H]- 177.047704 133.5
[M+NH4]+ 196.088803 150.3
[M+K]+ 217.018138 139.8
[M+H-H2O]+ 161.052240 125.8
[M+HCOO]- 223.053181 153.4
[M+CH3COO]- 237.068831 176.2
[M+Na-2H]- 199.029646 138.8
[M]+ 178.05443142 132.2
[M]- 178.05552858 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