CID 133615414

3-(propan-2-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine hydrochloride

Structural Information

Molecular Formula
C14H23BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)C(C)C
InChI
InChI=1S/C14H23BN2O2/c1-9(2)11-7-10(8-17-12(11)16)15-18-13(3,4)14(5,6)19-15/h7-9H,1-6H3,(H2,16,17)
InChIKey
BBWRGONWSMEHPO-UHFFFAOYSA-N
Compound name
3-propan-2-yl-5-(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

3
Patents

262.18527 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.19255 158.5
[M+Na]+ 285.17449 167.4
[M-H]- 261.17799 165.6
[M+NH4]+ 280.21909 177.4
[M+K]+ 301.14843 167.4
[M+H-H2O]+ 245.18253 153.2
[M+HCOO]- 307.18347 177.3
[M+CH3COO]- 321.19912 201.1
[M+Na-2H]- 283.15994 161.6
[M]+ 262.18472 160.6
[M]- 262.18582 160.6
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