CID 49758782

1610705-51-5

Structural Information

Molecular Formula
C12H17BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)C(=O)OC
InChI
InChI=1S/C12H17BN2O4/c1-11(2)12(3,4)19-13(18-11)8-6-14-9(15-7-8)10(16)17-5/h6-7H,1-5H3
InChIKey
OMKFGJOPZQLNCN-UHFFFAOYSA-N
Compound name
methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

264.12814 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13542 153.0
[M+Na]+ 287.11736 162.8
[M-H]- 263.12086 159.3
[M+NH4]+ 282.16196 170.5
[M+K]+ 303.09130 164.3
[M+H-H2O]+ 247.12540 147.0
[M+HCOO]- 309.12634 171.5
[M+CH3COO]- 323.14199 195.0
[M+Na-2H]- 285.10281 158.5
[M]+ 264.12759 158.4
[M]- 264.12869 158.4
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