CID 129946546

1850257-78-1

Structural Information

Molecular Formula
C13H17BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)C)C#N
InChI
InChI=1S/C13H17BN2O2/c1-9-10(7-15)6-11(8-16-9)14-17-12(2,3)13(4,5)18-14/h6,8H,1-5H3
InChIKey
CEEZOVNEGQGXIB-UHFFFAOYSA-N
Compound name
2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

244.1383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14558 145.8
[M+Na]+ 267.12752 158.7
[M-H]- 243.13102 152.1
[M+NH4]+ 262.17212 163.8
[M+K]+ 283.10146 155.9
[M+H-H2O]+ 227.13556 133.7
[M+HCOO]- 289.13650 162.4
[M+CH3COO]- 303.15215 204.8
[M+Na-2H]- 265.11297 151.2
[M]+ 244.13775 144.4
[M]- 244.13885 144.4
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