CID 15984297

878194-91-3

Structural Information

Molecular Formula
C12H15BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CN=C2)C#N
InChI
InChI=1S/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)10-8-15-6-5-9(10)7-14/h5-6,8H,1-4H3
InChIKey
DQQFRFWEPQBNEN-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

230.12267 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12995 142.7
[M+Na]+ 253.11189 155.2
[M-H]- 229.11539 148.8
[M+NH4]+ 248.15649 161.0
[M+K]+ 269.08583 152.6
[M+H-H2O]+ 213.11993 130.4
[M+HCOO]- 275.12087 159.7
[M+CH3COO]- 289.13652 201.1
[M+Na-2H]- 251.09734 149.1
[M]+ 230.12212 140.6
[M]- 230.12322 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe