CID 16427142

2-ethoxypyrimidine-5-boronic acid

Structural Information

Molecular Formula
C6H9BN2O3
SMILES
B(C1=CN=C(N=C1)OCC)(O)O
InChI
InChI=1S/C6H9BN2O3/c1-2-12-6-8-3-5(4-9-6)7(10)11/h3-4,10-11H,2H2,1H3
InChIKey
VTPBKJXRYUDPAJ-UHFFFAOYSA-N
Compound name
(2-ethoxypyrimidin-5-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
Patents

168.07062 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07790 132.5
[M+Na]+ 191.05984 140.5
[M-H]- 167.06334 131.0
[M+NH4]+ 186.10444 149.0
[M+K]+ 207.03378 139.1
[M+H-H2O]+ 151.06788 125.6
[M+HCOO]- 213.06882 151.8
[M+CH3COO]- 227.08447 173.0
[M+Na-2H]- 189.04529 139.1
[M]+ 168.07007 132.9
[M]- 168.07117 132.9
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

patents stripe