CID 17750212

2-aminopyrimidine-5-boronic acid, pinacol ester

Structural Information

Molecular Formula
C10H16BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N
InChI
InChI=1S/C10H16BN3O2/c1-9(2)10(3,4)16-11(15-9)7-5-13-8(12)14-6-7/h5-6H,1-4H3,(H2,12,13,14)
InChIKey
BPQVMIDUTRJYSC-UHFFFAOYSA-N
Compound name
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

1364
Patents

221.13356 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14084 145.2
[M+Na]+ 244.12278 155.1
[M-H]- 220.12628 151.0
[M+NH4]+ 239.16738 164.0
[M+K]+ 260.09672 155.4
[M+H-H2O]+ 204.13082 138.9
[M+HCOO]- 266.13176 165.0
[M+CH3COO]- 280.14741 189.7
[M+Na-2H]- 242.10823 151.8
[M]+ 221.13301 146.6
[M]- 221.13411 146.6
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