CID 165985164

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-2-carbaldehyde

Structural Information

Molecular Formula
C16H18BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=C(C=C3)C=O
InChI
InChI=1S/C16H18BNO3/c1-15(2)16(3,4)21-17(20-15)12-6-8-14-11(9-12)5-7-13(10-19)18-14/h5-10H,1-4H3
InChIKey
DUOOKDZNUZGBHY-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14525 160.9
[M+Na]+ 306.12719 171.9
[M-H]- 282.13069 169.5
[M+NH4]+ 301.17179 180.2
[M+K]+ 322.10113 170.6
[M+H-H2O]+ 266.13523 154.5
[M+HCOO]- 328.13617 179.8
[M+CH3COO]- 342.15182 174.5
[M+Na-2H]- 304.11264 167.1
[M]+ 283.13742 165.5
[M]- 283.13852 165.5
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

No patent data available for this compound.