CID 17750192

848243-25-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

263.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17656 156.0
[M+Na]+ 286.15850 164.8
[M-H]- 262.16200 163.3
[M+NH4]+ 281.20310 175.1
[M+K]+ 302.13244 165.9
[M+H-H2O]+ 246.16654 150.7
[M+HCOO]- 308.16748 174.7
[M+CH3COO]- 322.18313 197.5
[M+Na-2H]- 284.14395 160.6
[M]+ 263.16873 160.9
[M]- 263.16983 160.9
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