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

2
Patents

202.09135 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.09863 141.8
[M+Na]+ 225.08057 149.4
[M-H]- 201.08407 143.6
[M+NH4]+ 220.12517 158.5
[M+K]+ 241.05451 146.1
[M+H-H2O]+ 185.08861 134.1
[M+HCOO]- 247.08955 161.9
[M+CH3COO]- 261.10520 178.6
[M+Na-2H]- 223.06602 146.4
[M]+ 202.09080 140.5
[M]- 202.09190 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