CID 133617035

2-ethenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

Structural Information

Molecular Formula
C12H17BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)C=C
InChI
InChI=1S/C12H17BN2O2/c1-6-10-14-7-9(8-15-10)13-16-11(2,3)12(4,5)17-13/h6-8H,1H2,2-5H3
InChIKey
ZQMBQOOVBSJZHV-UHFFFAOYSA-N
Compound name
2-ethenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.14558 149.6
[M+Na]+ 255.12752 162.8
[M+NH4]+ 250.17212 159.7
[M+K]+ 271.10146 155.6
[M-H]- 231.13102 154.3
[M+Na-2H]- 253.11297 157.6
[M]+ 232.13775 153.2
[M]- 232.13885 153.2
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.