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 146.9
[M+Na]+ 255.12752 157.2
[M-H]- 231.13102 153.0
[M+NH4]+ 250.17212 165.9
[M+K]+ 271.10146 157.0
[M+H-H2O]+ 215.13556 140.8
[M+HCOO]- 277.13650 165.9
[M+CH3COO]- 291.15215 190.5
[M+Na-2H]- 253.11297 153.2
[M]+ 232.13775 150.0
[M]- 232.13885 150.0
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.