CID 3057028

N-(alpha,3,4-trihydroxyphenethyl)imidazole hydrochloride

Structural Information

Molecular Formula
C11H12N2O3
SMILES
C1=CC(=C(C=C1C(CN2C=CN=C2)O)O)O
InChI
InChI=1S/C11H12N2O3/c14-9-2-1-8(5-10(9)15)11(16)6-13-4-3-12-7-13/h1-5,7,11,14-16H,6H2
InChIKey
NUVHOIBRHPUYQL-UHFFFAOYSA-N
Compound name
4-(1-hydroxy-2-imidazol-1-ylethyl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

220.0848 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.092076 147.0
[M+Na]+ 243.074018 154.8
[M-H]- 219.077524 147.8
[M+NH4]+ 238.118623 162.4
[M+K]+ 259.047958 151.1
[M+H-H2O]+ 203.082060 139.6
[M+HCOO]- 265.083001 165.7
[M+CH3COO]- 279.098651 180.1
[M+Na-2H]- 241.059466 150.2
[M]+ 220.08425142 145.7
[M]- 220.08534858 145.7
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

No patent data available for this compound.