CID 59612998

1171892-42-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

263.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17656 157.6
[M+Na]+ 286.15850 169.7
[M+NH4]+ 281.20310 167.8
[M+K]+ 302.13244 163.3
[M-H]- 262.16200 162.6
[M+Na-2H]- 284.14395 165.0
[M]+ 263.16873 161.2
[M]- 263.16983 161.2
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