CID 139026817

[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]boronic acid

Structural Information

Molecular Formula
C7H6BN3O3
SMILES
B(C1=CN=C(N=C1)C2=NC=CO2)(O)O
InChI
InChI=1S/C7H6BN3O3/c12-8(13)5-3-10-6(11-4-5)7-9-1-2-14-7/h1-4,12-13H
InChIKey
QOGHPSPNXKTQBI-UHFFFAOYSA-N
Compound name
[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.05022 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05750 135.5
[M+Na]+ 214.03944 144.4
[M-H]- 190.04294 136.9
[M+NH4]+ 209.08404 149.8
[M+K]+ 230.01338 143.0
[M+H-H2O]+ 174.04748 127.4
[M+HCOO]- 236.04842 154.5
[M+CH3COO]- 250.06407 148.0
[M+Na-2H]- 212.02489 142.1
[M]+ 191.04967 135.6
[M]- 191.05077 135.6
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.