CID 2773489

380430-59-1

Structural Information

Molecular Formula
C10H11BO4
SMILES
B(C1=CC(=CC=C1)C=CC(=O)OC)(O)O
InChI
InChI=1S/C10H11BO4/c1-15-10(12)6-5-8-3-2-4-9(7-8)11(13)14/h2-7,13-14H,1H3
InChIKey
DZTWTEGVKAHSGN-UHFFFAOYSA-N
Compound name
[3-(3-methoxy-3-oxoprop-1-enyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

206.07504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08232 142.6
[M+Na]+ 229.06426 149.4
[M-H]- 205.06776 143.6
[M+NH4]+ 224.10886 160.2
[M+K]+ 245.03820 147.2
[M+H-H2O]+ 189.07230 137.1
[M+HCOO]- 251.07324 163.0
[M+CH3COO]- 265.08889 179.6
[M+Na-2H]- 227.04971 145.8
[M]+ 206.07449 142.8
[M]- 206.07559 142.8
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