CID 53440592

1052686-60-8

Structural Information

Molecular Formula
C11H17BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)OC
InChI
InChI=1S/C11H17BN2O3/c1-10(2)11(3,4)17-12(16-10)8-6-13-9(15-5)14-7-8/h6-7H,1-5H3
InChIKey
NPIOFBGJGBMTRC-UHFFFAOYSA-N
Compound name
2-methoxy-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

118
Patents

236.13322 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14050 148.9
[M+Na]+ 259.12244 161.7
[M+NH4]+ 254.16704 158.8
[M+K]+ 275.09638 155.5
[M-H]- 235.12594 153.3
[M+Na-2H]- 257.10789 156.9
[M]+ 236.13267 152.4
[M]- 236.13377 152.4
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