CID 3059767

77234-60-7

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

COC1=CC=C(C=C1)C(CN2C=CN=C2)O

InChI

InChI=1S/C12H14N2O2/c1-16-11-4-2-10(3-5-11)12(15)8-14-7-6-13-9-14/h2-7,9,12,15H,8H2,1H3

InChIKey

CDDVLHWHNIMECF-UHFFFAOYSA-N

Compound name

2-imidazol-1-yl-1-(4-methoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 218.10553 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.11281	147.8
[M+Na]+	241.09475	155.3
[M-H]-	217.09825	150.7
[M+NH4]+	236.13935	164.4
[M+K]+	257.06869	152.5
[M+H-H2O]+	201.10279	139.6
[M+HCOO]-	263.10373	169.0
[M+CH3COO]-	277.11938	184.7
[M+Na-2H]-	239.08020	152.0
[M]+	218.10498	148.7
[M]-	218.10608	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe