CID 82315

10041-02-8

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1=CC(=CC=C1N2C=CN=C2)O
InChI
InChI=1S/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12H
InChIKey
CYKCUAPYWQDIKR-UHFFFAOYSA-N
Compound name
4-imidazol-1-ylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

1133
Patents

160.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 130.6
[M+Na]+ 183.052878 139.9
[M-H]- 159.056384 133.9
[M+NH4]+ 178.097483 149.8
[M+K]+ 199.026818 136.8
[M+H-H2O]+ 143.060920 123.1
[M+HCOO]- 205.061861 153.6
[M+CH3COO]- 219.077511 144.4
[M+Na-2H]- 181.038326 137.6
[M]+ 160.06311142 129.7
[M]- 160.06420858 129.7
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