CID 43811067

2-aminopyridine-3-boronic acid, pinacol ester

Structural Information

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

288
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

No literature data available for this compound.

Patent stripe

patents stripe