CID 10464591

3-(1h-imidazol-1-yl)phenol

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1=CC(=CC(=C1)O)N2C=CN=C2
InChI
InChI=1S/C9H8N2O/c12-9-3-1-2-8(6-9)11-5-4-10-7-11/h1-7,12H
InChIKey
BECRMARRTSMUAO-UHFFFAOYSA-N
Compound name
3-imidazol-1-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

160.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 130.6
[M+Na]+ 183.05288 139.9
[M-H]- 159.05638 133.9
[M+NH4]+ 178.09748 149.8
[M+K]+ 199.02682 136.8
[M+H-H2O]+ 143.06092 123.1
[M+HCOO]- 205.06186 153.6
[M+CH3COO]- 219.07751 144.4
[M+Na-2H]- 181.03833 137.6
[M]+ 160.06311 129.7
[M]- 160.06421 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