CID 50990448

1228183-01-4

Structural Information

Molecular Formula
C10H11BN2O2
SMILES
B(C1=CC=C(C=C1)CN2C=CN=C2)(O)O
InChI
InChI=1S/C10H11BN2O2/c14-11(15)10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8,14-15H,7H2
InChIKey
WOPRITIOYMANHW-UHFFFAOYSA-N
Compound name
[4-(imidazol-1-ylmethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

202.09135 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.098626 141.8
[M+Na]+ 225.080568 149.4
[M-H]- 201.084074 143.6
[M+NH4]+ 220.125173 158.5
[M+K]+ 241.054508 146.1
[M+H-H2O]+ 185.088610 134.1
[M+HCOO]- 247.089551 161.9
[M+CH3COO]- 261.105201 178.6
[M+Na-2H]- 223.066016 146.4
[M]+ 202.09080142 140.5
[M]- 202.09189858 140.5
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