CID 2736209

89641-18-9

Structural Information

Molecular Formula
C6H9BN2O4
SMILES
B(C1=CN=C(N=C1OC)OC)(O)O
InChI
InChI=1S/C6H9BN2O4/c1-12-5-4(7(10)11)3-8-6(9-5)13-2/h3,10-11H,1-2H3
InChIKey
LKGKUACPLXCVOF-UHFFFAOYSA-N
Compound name
(2,4-dimethoxypyrimidin-5-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

911
Patents

184.06554 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07282 134.9
[M+Na]+ 207.05476 143.7
[M-H]- 183.05826 133.8
[M+NH4]+ 202.09936 151.0
[M+K]+ 223.02870 142.9
[M+H-H2O]+ 167.06280 128.1
[M+HCOO]- 229.06374 154.4
[M+CH3COO]- 243.07939 176.4
[M+Na-2H]- 205.04021 140.8
[M]+ 184.06499 137.2
[M]- 184.06609 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe