CID 57370080

1171891-31-8

Structural Information

Molecular Formula
C12H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CN=C2)C
InChI
InChI=1S/C12H18BNO2/c1-9-6-7-14-8-10(9)13-15-11(2,3)12(4,5)16-13/h6-8H,1-5H3
InChIKey
GZYZXNXJTPRMKF-UHFFFAOYSA-N
Compound name
4-methyl-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

176
Patents

219.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.15035 145.6
[M+Na]+ 242.13229 159.0
[M+NH4]+ 237.17689 156.9
[M+K]+ 258.10623 151.7
[M-H]- 218.13579 151.4
[M+Na-2H]- 240.11774 154.3
[M]+ 219.14252 149.7
[M]- 219.14362 149.7
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