CID 45785707

2-aminopyridine-4-boronic acid pinacol ester

Structural Information

Molecular Formula
C11H17BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)N
InChI
InChI=1S/C11H17BN2O2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8/h5-7H,1-4H3,(H2,13,14)
InChIKey
DCYKWKYBNWRLLZ-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

558
Patents

220.1383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.14558 145.2
[M+Na]+ 243.12752 154.8
[M-H]- 219.13102 152.4
[M+NH4]+ 238.17212 165.5
[M+K]+ 259.10146 154.9
[M+H-H2O]+ 203.13556 139.9
[M+HCOO]- 265.13650 166.0
[M+CH3COO]- 279.15215 189.9
[M+Na-2H]- 241.11297 151.6
[M]+ 220.13775 146.5
[M]- 220.13885 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe