CID 21883754

4-hydroxy-5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

Structural Information

Molecular Formula
C14H19BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2C=O)OC)O
InChI
InChI=1S/C14H19BO5/c1-13(2)14(3,4)20-15(19-13)10-7-11(17)12(18-5)6-9(10)8-16/h6-8,17H,1-5H3
InChIKey
OXRAHKBWEJWSJQ-UHFFFAOYSA-N
Compound name
4-hydroxy-5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

278.13257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13985 154.9
[M+Na]+ 301.12179 165.4
[M-H]- 277.12529 163.0
[M+NH4]+ 296.16639 174.5
[M+K]+ 317.09573 165.8
[M+H-H2O]+ 261.12983 151.4
[M+HCOO]- 323.13077 174.9
[M+CH3COO]- 337.14642 197.6
[M+Na-2H]- 299.10724 159.9
[M]+ 278.13202 161.3
[M]- 278.13312 161.3
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