CID 3063243

100199-60-8

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

C1=CC(=CC=C1CO)OCCN2C=CN=C2

InChI

InChI=1S/C12H14N2O2/c15-9-11-1-3-12(4-2-11)16-8-7-14-6-5-13-10-14/h1-6,10,15H,7-9H2

InChIKey

GDNYXDJGFLTMJN-UHFFFAOYSA-N

Compound name

[4-(2-imidazol-1-ylethoxy)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 218.10553 Da
Monoisotopic Mass: 1.0
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]+	219.112806	147.3
[M+Na]+	241.094748	155.1
[M-H]-	217.098254	150.0
[M+NH4]+	236.139353	164.0
[M+K]+	257.068688	151.8
[M+H-H2O]+	201.102790	138.9
[M+HCOO]-	263.103731	169.5
[M+CH3COO]-	277.119381	183.9
[M+Na-2H]-	239.080196	152.7
[M]+	218.10498142	148.8
[M]-	218.10607858	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe