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

10
Patents

248.1696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.176876 153.7
[M+Na]+ 271.158818 163.3
[M-H]- 247.162324 160.8
[M+NH4]+ 266.203423 173.2
[M+K]+ 287.132758 163.0
[M+H-H2O]+ 231.166860 148.3
[M+HCOO]- 293.167801 173.8
[M+CH3COO]- 307.183451 197.1
[M+Na-2H]- 269.144266 158.4
[M]+ 248.16905142 156.1
[M]- 248.17014858 156.1
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