CID 72220386

3-chloro-n,n-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

Structural Information

Molecular Formula
C13H20BClN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N(C)C)Cl
InChI
InChI=1S/C13H20BClN2O2/c1-12(2)13(3,4)19-14(18-12)9-7-10(15)11(16-8-9)17(5)6/h7-8H,1-6H3
InChIKey
KLJAIWSMAWACSG-UHFFFAOYSA-N
Compound name
3-chloro-N,N-dimethyl-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

0
Patents

282.13065 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.13793 159.1
[M+Na]+ 305.11987 169.3
[M-H]- 281.12337 167.9
[M+NH4]+ 300.16447 178.8
[M+K]+ 321.09381 168.9
[M+H-H2O]+ 265.12791 154.0
[M+HCOO]- 327.12885 175.6
[M+CH3COO]- 341.14450 204.8
[M+Na-2H]- 303.10532 163.6
[M]+ 282.13010 165.4
[M]- 282.13120 165.4
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

No patent data available for this compound.