CID 53398528

1257431-63-2

Structural Information

Molecular Formula
C14H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)C(C)(C)O
InChI
InChI=1S/C14H22BNO3/c1-12(2,17)10-7-11(9-16-8-10)15-18-13(3,4)14(5,6)19-15/h7-9,17H,1-6H3
InChIKey
FIWGJYZBBBBXPY-UHFFFAOYSA-N
Compound name
2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

263.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17656 156.6
[M+Na]+ 286.15850 168.1
[M+NH4]+ 281.20310 166.3
[M+K]+ 302.13244 162.6
[M-H]- 262.16200 160.7
[M+Na-2H]- 284.14395 163.9
[M]+ 263.16873 159.8
[M]- 263.16983 159.8
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