CID 54775464

6-(aminomethyl)pyridine-3-boronic acid pinacol ester dihydrochloride

Structural Information

Molecular Formula
C12H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)CN
InChI
InChI=1S/C12H19BN2O2/c1-11(2)12(3,4)17-13(16-11)9-5-6-10(7-14)15-8-9/h5-6,8H,7,14H2,1-4H3
InChIKey
PFBRKGDRUWEIFI-UHFFFAOYSA-N
Compound name
[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

234.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16124 149.8
[M+Na]+ 257.14318 158.9
[M-H]- 233.14668 156.8
[M+NH4]+ 252.18778 169.5
[M+K]+ 273.11712 158.8
[M+H-H2O]+ 217.15122 144.2
[M+HCOO]- 279.15216 170.3
[M+CH3COO]- 293.16781 192.9
[M+Na-2H]- 255.12863 155.7
[M]+ 234.15341 151.4
[M]- 234.15451 151.4
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