CID 46856339

877149-81-0

Structural Information

Molecular Formula
C12H18BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)CO
InChI
InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)10-5-9(8-15)6-14-7-10/h5-7,15H,8H2,1-4H3
InChIKey
MMZYOXJIDQOQJT-UHFFFAOYSA-N
Compound name
[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

235.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.14525 149.4
[M+Na]+ 258.12719 161.7
[M+NH4]+ 253.17179 159.6
[M+K]+ 274.10113 155.2
[M-H]- 234.13069 154.1
[M+Na-2H]- 256.11264 157.0
[M]+ 235.13742 152.8
[M]- 235.13852 152.8
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