CID 53216708

(4-cyclopropoxyphenyl)boronic acid

Structural Information

Molecular Formula
C9H11BO3
SMILES
B(C1=CC=C(C=C1)OC2CC2)(O)O
InChI
InChI=1S/C9H11BO3/c11-10(12)7-1-3-8(4-2-7)13-9-5-6-9/h1-4,9,11-12H,5-6H2
InChIKey
IZOOGQYKHWNGOK-UHFFFAOYSA-N
Compound name
(4-cyclopropyloxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
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

literature stripe

Patent stripe

patents stripe