CID 16218165

3-(4,5-dihydro-1h-imidazol-2-yl)phenol

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1CN=C(N1)C2=CC(=CC=C2)O
InChI
InChI=1S/C9H10N2O/c12-8-3-1-2-7(6-8)9-10-4-5-11-9/h1-3,6,12H,4-5H2,(H,10,11)
InChIKey
YMULJMVKZKHEEH-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1H-imidazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

162.07932 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.086596 133.0
[M+Na]+ 185.068538 140.8
[M-H]- 161.072044 134.5
[M+NH4]+ 180.113143 151.3
[M+K]+ 201.042478 137.0
[M+H-H2O]+ 145.076580 125.7
[M+HCOO]- 207.077521 153.0
[M+CH3COO]- 221.093171 145.5
[M+Na-2H]- 183.053986 138.5
[M]+ 162.07877142 128.8
[M]- 162.07986858 128.8
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