CID 46739526

1150561-70-8

Structural Information

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

35
Patents

244.1383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.145576 145.8
[M+Na]+ 267.127518 158.7
[M-H]- 243.131024 152.1
[M+NH4]+ 262.172123 163.8
[M+K]+ 283.101458 155.9
[M+H-H2O]+ 227.135560 133.7
[M+HCOO]- 289.136501 162.4
[M+CH3COO]- 303.152151 204.8
[M+Na-2H]- 265.112966 151.2
[M]+ 244.13775142 144.4
[M]- 244.13884858 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