CID 2773342

91983-26-5

Structural Information

Molecular Formula
C8H8BNO2
SMILES
B(C1=CC=C(C=C1)CC#N)(O)O
InChI
InChI=1S/C8H8BNO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,11-12H,5H2
InChIKey
YKVMTTIYBSVPEQ-UHFFFAOYSA-N
Compound name
[4-(cyanomethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

556
Patents

161.0648 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07208 133.7
[M+Na]+ 184.05402 144.9
[M+NH4]+ 179.09862 138.1
[M+K]+ 200.02796 136.8
[M-H]- 160.05752 127.4
[M+Na-2H]- 182.03947 137.1
[M]+ 161.06425 132.6
[M]- 161.06535 132.6
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