CID 129947195

3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

262.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.144906 152.1
[M+Na]+ 285.126848 162.2
[M-H]- 261.130354 161.2
[M+NH4]+ 280.171453 172.8
[M+K]+ 301.100788 162.8
[M+H-H2O]+ 245.134890 148.0
[M+HCOO]- 307.135831 173.4
[M+CH3COO]- 321.151481 196.6
[M+Na-2H]- 283.112296 157.8
[M]+ 262.13708142 158.3
[M]- 262.13817858 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