CID 137943924

6-(tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-3-amine

Structural Information

Molecular Formula
C15H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=CC(=CN=C3C=C2)N
InChI
InChI=1S/C15H19BN2O2/c1-14(2)15(3,4)20-16(19-14)11-5-6-13-10(7-11)8-12(17)9-18-13/h5-9H,17H2,1-4H3
InChIKey
LFSKXIRELUGGAX-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

270.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.161236 160.2
[M+Na]+ 293.143178 170.6
[M-H]- 269.146684 168.3
[M+NH4]+ 288.187783 179.6
[M+K]+ 309.117118 169.0
[M+H-H2O]+ 253.151220 153.7
[M+HCOO]- 315.152161 179.4
[M+CH3COO]- 329.167811 173.4
[M+Na-2H]- 291.128626 166.1
[M]+ 270.15341142 162.1
[M]- 270.15450858 162.1
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