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

12
Patents

262.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14491 152.1
[M+Na]+ 285.12685 162.2
[M-H]- 261.13035 161.2
[M+NH4]+ 280.17145 172.8
[M+K]+ 301.10079 162.8
[M+H-H2O]+ 245.13489 148.0
[M+HCOO]- 307.13583 173.4
[M+CH3COO]- 321.15148 196.6
[M+Na-2H]- 283.11230 157.8
[M]+ 262.13708 158.3
[M]- 262.13818 158.3
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