CID 132351239

2-cyclopropyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carbonitrile hydrochloride

Structural Information

Molecular Formula
C15H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2C#N)C3CC3
InChI
InChI=1S/C15H19BN2O2/c1-14(2)15(3,4)20-16(19-14)12-9-18-13(10-5-6-10)7-11(12)8-17/h7,9-10H,5-6H2,1-4H3
InChIKey
KXGAJWPFSPZLAH-UHFFFAOYSA-N
Compound name
2-cyclopropyl-5-(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

0
Patents

270.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16124 152.1
[M+Na]+ 293.14318 169.6
[M-H]- 269.14668 163.0
[M+NH4]+ 288.18778 166.3
[M+K]+ 309.11712 164.1
[M+H-H2O]+ 253.15122 142.5
[M+HCOO]- 315.15216 169.3
[M+CH3COO]- 329.16781 165.6
[M+Na-2H]- 291.12863 158.2
[M]+ 270.15341 154.4
[M]- 270.15451 154.4
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

No patent data available for this compound.