CID 25214878

1098755-60-2

Structural Information

Molecular Formula
C15H21BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2C=O)OC)OC
InChI
InChI=1S/C15H21BO5/c1-14(2)15(3,4)21-16(20-14)11-8-13(19-6)12(18-5)7-10(11)9-17/h7-9H,1-6H3
InChIKey
WJNSNUHZFXSFMH-UHFFFAOYSA-N
Compound name
4,5-dimethoxy-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

0
Patents

292.1482 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15548 158.2
[M+Na]+ 315.13742 168.6
[M-H]- 291.14092 167.5
[M+NH4]+ 310.18202 177.9
[M+K]+ 331.11136 169.7
[M+H-H2O]+ 275.14546 154.2
[M+HCOO]- 337.14640 179.4
[M+CH3COO]- 351.16205 203.0
[M+Na-2H]- 313.12287 163.1
[M]+ 292.14765 166.7
[M]- 292.14875 166.7
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.