CID 3059769

77234-61-8

Structural Information

Molecular Formula

C₁₁H₁₃N₃O

SMILES

C1=CC(=CC=C1C(CN2C=CN=C2)O)N

InChI

InChI=1S/C11H13N3O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8,11,15H,7,12H2

InChIKey

FJBFZIWISRAEOF-UHFFFAOYSA-N

Compound name

1-(4-aminophenyl)-2-imidazol-1-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 203.10587 Da
Monoisotopic Mass: 0.5
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]+	204.11315	144.0
[M+Na]+	226.09509	151.2
[M-H]-	202.09859	146.6
[M+NH4]+	221.13969	160.7
[M+K]+	242.06903	147.6
[M+H-H2O]+	186.10313	135.8
[M+HCOO]-	248.10407	165.8
[M+CH3COO]-	262.11972	184.0
[M+Na-2H]-	224.08054	148.3
[M]+	203.10532	141.5
[M]-	203.10642	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe