CID 130120931

1451374-90-5

Structural Information

Molecular Formula
C9H11BO4
SMILES
B(C1=C(C(=CC=C1)C(=O)OC)C)(O)O
InChI
InChI=1S/C9H11BO4/c1-6-7(9(11)14-2)4-3-5-8(6)10(12)13/h3-5,12-13H,1-2H3
InChIKey
OFQQQFUIQMLXRI-UHFFFAOYSA-N
Compound name
(3-methoxycarbonyl-2-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.07504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08232 138.3
[M+Na]+ 217.06426 146.0
[M-H]- 193.06776 139.8
[M+NH4]+ 212.10886 156.7
[M+K]+ 233.03820 144.8
[M+H-H2O]+ 177.07230 133.1
[M+HCOO]- 239.07324 158.7
[M+CH3COO]- 253.08889 179.3
[M+Na-2H]- 215.04971 141.4
[M]+ 194.07449 139.3
[M]- 194.07559 139.3
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

No patent data available for this compound.