CID 75485959

[3-cyano-4-(morpholin-4-yl)phenyl]boronic acid

Structural Information

Molecular Formula
C11H13BN2O3
SMILES
B(C1=CC(=C(C=C1)N2CCOCC2)C#N)(O)O
InChI
InChI=1S/C11H13BN2O3/c13-8-9-7-10(12(15)16)1-2-11(9)14-3-5-17-6-4-14/h1-2,7,15-16H,3-6H2
InChIKey
LVFMJSMMUCOKOR-UHFFFAOYSA-N
Compound name
(3-cyano-4-morpholin-4-ylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

232.10193 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10921 154.0
[M+Na]+ 255.09115 164.8
[M+NH4]+ 250.13575 157.5
[M+K]+ 271.06509 157.1
[M-H]- 231.09465 149.6
[M+Na-2H]- 253.07660 156.3
[M]+ 232.10138 153.3
[M]- 232.10248 153.3
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