CID 90286527

3-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

Structural Information

Molecular Formula
C14H21BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)C3CC3
InChI
InChI=1S/C14H21BN2O2/c1-13(2)14(3,4)19-15(18-13)10-7-11(9-5-6-9)12(16)17-8-10/h7-9H,5-6H2,1-4H3,(H2,16,17)
InChIKey
YLUSRQDGDJSFIE-UHFFFAOYSA-N
Compound name
3-cyclopropyl-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

18
Patents

260.16962 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.176896 156.3
[M+Na]+ 283.158838 166.9
[M-H]- 259.162344 167.0
[M+NH4]+ 278.203443 170.2
[M+K]+ 299.132778 166.8
[M+H-H2O]+ 243.166880 150.8
[M+HCOO]- 305.167821 175.4
[M+CH3COO]- 319.183471 169.3
[M+Na-2H]- 281.144286 160.7
[M]+ 260.16907142 160.5
[M]- 260.17016858 160.5
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