CID 46739632

1217501-00-2

Structural Information

Molecular Formula
C10H10BNO2
SMILES
B(C1=CC=C(C=C1)C2(CC2)C#N)(O)O
InChI
InChI=1S/C10H10BNO2/c12-7-10(5-6-10)8-1-3-9(4-2-8)11(13)14/h1-4,13-14H,5-6H2
InChIKey
NOICYZKSQYFZPX-UHFFFAOYSA-N
Compound name
[4-(1-cyanocyclopropyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

187.08046 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08774 141.7
[M+Na]+ 210.06968 154.1
[M+NH4]+ 205.11428 148.2
[M+K]+ 226.04362 145.8
[M-H]- 186.07318 143.3
[M+Na-2H]- 208.05513 149.3
[M]+ 187.07991 144.2
[M]- 187.08101 144.2
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