CID 11658840

620595-36-0

Structural Information

Molecular Formula
C13H17BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)O)C=O
InChI
InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-5-6-11(16)9(7-10)8-15/h5-8,16H,1-4H3
InChIKey
FGSHRYLDHURBJL-UHFFFAOYSA-N
Compound name
2-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

248.122 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12928 148.8
[M+Na]+ 271.11122 158.9
[M-H]- 247.11472 156.7
[M+NH4]+ 266.15582 169.3
[M+K]+ 287.08516 158.9
[M+H-H2O]+ 231.11926 145.1
[M+HCOO]- 293.12020 168.9
[M+CH3COO]- 307.13585 191.1
[M+Na-2H]- 269.09667 154.5
[M]+ 248.12145 152.8
[M]- 248.12255 152.8
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