CID 127263690

1112210-74-8

Structural Information

Molecular Formula
C14H19BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)OC)C=O
InChI
InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-6-10(9-16)7-12(8-11)17-5/h6-9H,1-5H3
InChIKey
LMWVDPBIAMMYMW-UHFFFAOYSA-N
Compound name
3-methoxy-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

0
Patents

262.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14491 154.7
[M+Na]+ 285.12685 167.3
[M+NH4]+ 280.17145 165.0
[M+K]+ 301.10079 160.5
[M-H]- 261.13035 160.0
[M+Na-2H]- 283.11230 162.3
[M]+ 262.13708 158.4
[M]- 262.13818 158.4
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.