CID 46739641

2-methylaminopyrimidine-5-boronic acid, pinacol ester

Structural Information

Molecular Formula
C11H18BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)NC
InChI
InChI=1S/C11H18BN3O2/c1-10(2)11(3,4)17-12(16-10)8-6-14-9(13-5)15-7-8/h6-7H,1-5H3,(H,13,14,15)
InChIKey
QDOXNCAIXITTKA-UHFFFAOYSA-N
Compound name
N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

195
Patents

235.1492 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.15648 148.8
[M+Na]+ 258.13842 158.3
[M-H]- 234.14192 155.0
[M+NH4]+ 253.18302 167.4
[M+K]+ 274.11236 158.7
[M+H-H2O]+ 218.14646 142.3
[M+HCOO]- 280.14740 169.0
[M+CH3COO]- 294.16305 193.2
[M+Na-2H]- 256.12387 156.0
[M]+ 235.14865 151.6
[M]- 235.14975 151.6
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

patents stripe