CID 59137537

1188298-76-1

Structural Information

Molecular Formula
C13H21BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)CC
InChI
InChI=1S/C13H21BN2O2/c1-6-9-7-10(8-16-11(9)15)14-17-12(2,3)13(4,5)18-14/h7-8H,6H2,1-5H3,(H2,15,16)
InChIKey
OKHCSTXFLYSGAV-UHFFFAOYSA-N
Compound name
3-ethyl-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

15
Patents

248.1696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17688 154.6
[M+Na]+ 271.15882 166.4
[M+NH4]+ 266.20342 164.9
[M+K]+ 287.13276 159.7
[M-H]- 247.16232 160.3
[M+Na-2H]- 269.14427 162.0
[M]+ 248.16905 158.2
[M]- 248.17015 158.2
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