CID 16218172

1072952-00-1

Structural Information

Molecular Formula
C10H13BO4
SMILES
B(C1=CC(=C(C=C1)OC(C)C)C=O)(O)O
InChI
InChI=1S/C10H13BO4/c1-7(2)15-10-4-3-9(11(13)14)5-8(10)6-12/h3-7,13-14H,1-2H3
InChIKey
MFWMHBLPARKSLU-UHFFFAOYSA-N
Compound name
(3-formyl-4-propan-2-yloxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

208.09068 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.097956 142.7
[M+Na]+ 231.079898 149.9
[M-H]- 207.083404 144.0
[M+NH4]+ 226.124503 160.5
[M+K]+ 247.053838 148.5
[M+H-H2O]+ 191.087940 137.3
[M+HCOO]- 253.088881 162.8
[M+CH3COO]- 267.104531 183.0
[M+Na-2H]- 229.065346 145.3
[M]+ 208.09013142 144.2
[M]- 208.09122858 144.2
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