CID 22172964

227306-23-2

Structural Information

Molecular Formula
C9H11BO4
SMILES
B(C1=CC2=C(C=C1)OC(O2)(C)C)(O)O
InChI
InChI=1S/C9H11BO4/c1-9(2)13-7-4-3-6(10(11)12)5-8(7)14-9/h3-5,11-12H,1-2H3
InChIKey
RVNFQXCMRDUEBI-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,3-benzodioxol-5-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

194.07504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08232 137.2
[M+Na]+ 217.06426 146.3
[M-H]- 193.06776 141.1
[M+NH4]+ 212.10886 157.9
[M+K]+ 233.03820 146.6
[M+H-H2O]+ 177.07230 133.7
[M+HCOO]- 239.07324 155.7
[M+CH3COO]- 253.08889 177.6
[M+Na-2H]- 215.04971 144.5
[M]+ 194.07449 139.5
[M]- 194.07559 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe