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

23
Patents

260.16962 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.17690 156.3
[M+Na]+ 283.15884 166.9
[M-H]- 259.16234 167.0
[M+NH4]+ 278.20344 170.2
[M+K]+ 299.13278 166.8
[M+H-H2O]+ 243.16688 150.8
[M+HCOO]- 305.16782 175.4
[M+CH3COO]- 319.18347 169.3
[M+Na-2H]- 281.14429 160.7
[M]+ 260.16907 160.5
[M]- 260.17017 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