CID 3061228

78892-28-1

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

CC1=C(C(=CC=C1)C)C(C2=CN=CN2)O

InChI

InChI=1S/C12H14N2O/c1-8-4-3-5-9(2)11(8)12(15)10-6-13-7-14-10/h3-7,12,15H,1-2H3,(H,13,14)

InChIKey

OCHDQYRNWAVERA-UHFFFAOYSA-N

Compound name

(2,6-dimethylphenyl)-(1H-imidazol-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 202.11061 Da
Monoisotopic Mass: 1.6
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]+	203.117886	145.3
[M+Na]+	225.099828	153.4
[M-H]-	201.103334	147.2
[M+NH4]+	220.144433	162.3
[M+K]+	241.073768	149.1
[M+H-H2O]+	185.107870	137.9
[M+HCOO]-	247.108811	164.7
[M+CH3COO]-	261.124461	181.3
[M+Na-2H]-	223.085276	148.3
[M]+	202.11006142	143.3
[M]-	202.11115858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe