CID 72219534

2379560-89-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

248.122 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.129276 148.8
[M+Na]+ 271.111218 158.9
[M-H]- 247.114724 156.7
[M+NH4]+ 266.155823 169.3
[M+K]+ 287.085158 158.9
[M+H-H2O]+ 231.119260 145.1
[M+HCOO]- 293.120201 168.9
[M+CH3COO]- 307.135851 191.1
[M+Na-2H]- 269.096666 154.5
[M]+ 248.12145142 152.8
[M]- 248.12254858 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