CID 56737626

3-(1-cyanocyclopropyl)phenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

187.08046 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08774 137.4
[M+Na]+ 210.06968 152.9
[M-H]- 186.07318 144.1
[M+NH4]+ 205.11428 153.2
[M+K]+ 226.04362 145.9
[M+H-H2O]+ 170.07772 129.1
[M+HCOO]- 232.07866 156.8
[M+CH3COO]- 246.09431 192.4
[M+Na-2H]- 208.05513 144.9
[M]+ 187.07991 135.5
[M]- 187.08101 135.5
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