CID 53216361

1218790-58-9

Structural Information

Molecular Formula
C9H10BNO2
SMILES
B(C1=CC(=CC=C1)CCC#N)(O)O
InChI
InChI=1S/C9H10BNO2/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1,3,5,7,12-13H,2,4H2
InChIKey
XSPLWOUIDZWRHD-UHFFFAOYSA-N
Compound name
[3-(2-cyanoethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

175.08046 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08774 137.8
[M+Na]+ 198.06968 148.8
[M+NH4]+ 193.11428 142.1
[M+K]+ 214.04362 140.5
[M-H]- 174.07318 131.5
[M+Na-2H]- 196.05513 140.9
[M]+ 175.07991 136.6
[M]- 175.08101 136.6
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