CID 3059780

N-(alpha,4-dihydroxyphenethyl)imidazole hydrochloride

Structural Information

Molecular Formula
C11H12N2O2
SMILES
C1=CC(=CC=C1C(CN2C=CN=C2)O)O
InChI
InChI=1S/C11H12N2O2/c14-10-3-1-9(2-4-10)11(15)7-13-6-5-12-8-13/h1-6,8,11,14-15H,7H2
InChIKey
YUGKGJUVLVOHGK-UHFFFAOYSA-N
Compound name
4-(1-hydroxy-2-imidazol-1-ylethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

204.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 143.7
[M+Na]+ 227.07909 151.2
[M-H]- 203.08259 145.4
[M+NH4]+ 222.12369 160.2
[M+K]+ 243.05303 147.7
[M+H-H2O]+ 187.08713 136.0
[M+HCOO]- 249.08807 163.7
[M+CH3COO]- 263.10372 179.2
[M+Na-2H]- 225.06454 148.0
[M]+ 204.08932 142.4
[M]- 204.09042 142.4
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