CID 45158859

(3-cyclopropylphenyl)boronic acid

Structural Information

Molecular Formula
C9H11BO2
SMILES
B(C1=CC(=CC=C1)C2CC2)(O)O
InChI
InChI=1S/C9H11BO2/c11-10(12)9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7,11-12H,4-5H2
InChIKey
BFFVQXUPALEVGS-UHFFFAOYSA-N
Compound name
(3-cyclopropylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

162.0852 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09248 128.2
[M+Na]+ 185.07442 137.1
[M-H]- 161.07792 133.6
[M+NH4]+ 180.11902 143.0
[M+K]+ 201.04836 133.8
[M+H-H2O]+ 145.08246 122.6
[M+HCOO]- 207.08340 149.8
[M+CH3COO]- 221.09905 176.7
[M+Na-2H]- 183.05987 134.2
[M]+ 162.08465 128.8
[M]- 162.08575 128.8
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