CID 72219182

2096337-14-1

Structural Information

Molecular Formula
C14H22BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)C(C)C
InChI
InChI=1S/C14H22BNO2/c1-10(2)12-11(8-7-9-16-12)15-17-13(3,4)14(5,6)18-15/h7-10H,1-6H3
InChIKey
XKZMWHQOYHEADN-UHFFFAOYSA-N
Compound name
2-propan-2-yl-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

60
Patents

247.17436 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.18164 152.8
[M+Na]+ 270.16358 161.7
[M-H]- 246.16708 160.1
[M+NH4]+ 265.20818 172.6
[M+K]+ 286.13752 162.2
[M+H-H2O]+ 230.17162 147.6
[M+HCOO]- 292.17256 171.3
[M+CH3COO]- 306.18821 195.4
[M+Na-2H]- 268.14903 157.2
[M]+ 247.17381 156.2
[M]- 247.17491 156.2
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