CID 45786011

1321518-05-1

Structural Information

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

48
Patents

248.1696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.176876 152.7
[M+Na]+ 271.158818 161.5
[M-H]- 247.162324 161.5
[M+NH4]+ 266.203423 172.8
[M+K]+ 287.132758 163.0
[M+H-H2O]+ 231.166860 146.9
[M+HCOO]- 293.167801 174.0
[M+CH3COO]- 307.183451 199.9
[M+Na-2H]- 269.144266 158.4
[M]+ 248.16905142 156.8
[M]- 248.17014858 156.8
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