CID 3074053

154719-70-7

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

CC1=CC=C(C=C1)C(CN2C=CN=C2)O

InChI

InChI=1S/C12H14N2O/c1-10-2-4-11(5-3-10)12(15)8-14-7-6-13-9-14/h2-7,9,12,15H,8H2,1H3

InChIKey

MDANYNDEFRYQQC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 202.11061 Da
Monoisotopic Mass: 1.5
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]+	203.11789	144.8
[M+Na]+	225.09983	152.4
[M-H]-	201.10333	147.7
[M+NH4]+	220.14443	162.2
[M+K]+	241.07377	149.1
[M+H-H2O]+	185.10787	136.8
[M+HCOO]-	247.10881	165.8
[M+CH3COO]-	261.12446	182.7
[M+Na-2H]-	223.08528	149.0
[M]+	202.11006	144.3
[M]-	202.11116	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe