CID 75487099

2-chloro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-amine

Structural Information

Molecular Formula
C10H15BClN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2N)Cl
InChI
InChI=1S/C10H15BClN3O2/c1-9(2)10(3,4)17-11(16-9)6-5-14-8(12)15-7(6)13/h5H,1-4H3,(H2,13,14,15)
InChIKey
VJXXMCMALHRWAB-UHFFFAOYSA-N
Compound name
2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.09459 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10187 151.4
[M+Na]+ 278.08381 162.7
[M-H]- 254.08731 157.3
[M+NH4]+ 273.12841 169.9
[M+K]+ 294.05775 161.2
[M+H-H2O]+ 238.09185 145.8
[M+HCOO]- 300.09279 166.4
[M+CH3COO]- 314.10844 194.6
[M+Na-2H]- 276.06926 156.7
[M]+ 255.09404 154.9
[M]- 255.09514 154.9
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

No patent data available for this compound.