CID 4992640

5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehyde

Structural Information

Molecular Formula
C12H16BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)C=O
InChI
InChI=1S/C12H16BNO3/c1-11(2)12(3,4)17-13(16-11)10-5-9(8-15)6-14-7-10/h5-8H,1-4H3
InChIKey
WVIMCYHOZKNOCS-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

233.12233 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12961 145.4
[M+Na]+ 256.11155 155.6
[M-H]- 232.11505 153.1
[M+NH4]+ 251.15615 165.7
[M+K]+ 272.08549 156.1
[M+H-H2O]+ 216.11959 140.3
[M+HCOO]- 278.12053 166.0
[M+CH3COO]- 292.13618 189.8
[M+Na-2H]- 254.09700 152.2
[M]+ 233.12178 149.5
[M]- 233.12288 149.5
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

patents stripe