CID 18770201

(2-cyclopropoxyphenyl)boronic acid

Structural Information

Molecular Formula
C9H11BO3
SMILES
B(C1=CC=CC=C1OC2CC2)(O)O
InChI
InChI=1S/C9H11BO3/c11-10(12)8-3-1-2-4-9(8)13-7-5-6-7/h1-4,7,11-12H,5-6H2
InChIKey
VBEGXBKJOHNRNH-UHFFFAOYSA-N
Compound name
(2-cyclopropyloxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

178.08012 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08740 132.0
[M+Na]+ 201.06934 140.7
[M-H]- 177.07284 137.2
[M+NH4]+ 196.11394 146.0
[M+K]+ 217.04328 137.8
[M+H-H2O]+ 161.07738 126.1
[M+HCOO]- 223.07832 153.6
[M+CH3COO]- 237.09397 178.7
[M+Na-2H]- 199.05479 137.8
[M]+ 178.07957 133.9
[M]- 178.08067 133.9
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