CID 44118566

957034-56-9

Structural Information

Molecular Formula
C11H13BN2O3
SMILES
B(C1=CC=C(C=C1)OCCN2C=CN=C2)(O)O
InChI
InChI=1S/C11H13BN2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9,15-16H,7-8H2
InChIKey
YRNCSPFXUDNRCS-UHFFFAOYSA-N
Compound name
[4-(2-imidazol-1-ylethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

232.10193 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10921 149.1
[M+Na]+ 255.09115 156.0
[M-H]- 231.09465 150.6
[M+NH4]+ 250.13575 164.3
[M+K]+ 271.06509 153.0
[M+H-H2O]+ 215.09919 140.9
[M+HCOO]- 277.10013 169.0
[M+CH3COO]- 291.11578 183.7
[M+Na-2H]- 253.07660 153.1
[M]+ 232.10138 149.5
[M]- 232.10248 149.5
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