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

9
Patents

270.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16124 160.2
[M+Na]+ 293.14318 170.6
[M-H]- 269.14668 168.3
[M+NH4]+ 288.18778 179.6
[M+K]+ 309.11712 169.0
[M+H-H2O]+ 253.15122 153.7
[M+HCOO]- 315.15216 179.4
[M+CH3COO]- 329.16781 173.4
[M+Na-2H]- 291.12863 166.1
[M]+ 270.15341 162.1
[M]- 270.15451 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