CID 137952087

6-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile

Structural Information

Molecular Formula
C13H17BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(C=C2)C#N)OC
InChI
InChI=1S/C13H17BN2O3/c1-12(2)13(3,4)19-14(18-12)10-7-6-9(8-15)16-11(10)17-5/h6-7H,1-5H3
InChIKey
UJEJBKNLDNUUKU-UHFFFAOYSA-N
Compound name
6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1332 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14048 148.1
[M+Na]+ 283.12242 160.8
[M-H]- 259.12592 154.3
[M+NH4]+ 278.16702 165.5
[M+K]+ 299.09636 158.7
[M+H-H2O]+ 243.13046 135.9
[M+HCOO]- 305.13140 164.9
[M+CH3COO]- 319.14705 206.7
[M+Na-2H]- 281.10787 153.7
[M]+ 260.13265 148.0
[M]- 260.13375 148.0
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

No patent data available for this compound.