CID 52780

73932-41-9

Structural Information

Molecular Formula
C11H10N2O3
SMILES
C1=CC(=C(C=C1C(=O)CN2C=CN=C2)O)O
InChI
InChI=1S/C11H10N2O3/c14-9-2-1-8(5-10(9)15)11(16)6-13-4-3-12-7-13/h1-5,7,14-15H,6H2
InChIKey
JHQYDDFNYJJOIA-UHFFFAOYSA-N
Compound name
1-(3,4-dihydroxyphenyl)-2-imidazol-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2
Patents

218.06914 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 145.6
[M+Na]+ 241.058358 154.1
[M-H]- 217.061864 147.7
[M+NH4]+ 236.102963 161.6
[M+K]+ 257.032298 150.7
[M+H-H2O]+ 201.066400 138.0
[M+HCOO]- 263.067341 165.9
[M+CH3COO]- 277.082991 181.7
[M+Na-2H]- 239.043806 149.2
[M]+ 218.06859142 145.4
[M]- 218.06968858 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe