CID 2735662

79047-41-9

Structural Information

Molecular Formula

C₈H₁₃ClN₂O

SMILES

CCCCC1=NC(=C(N1)CO)Cl

InChI

InChI=1S/C8H13ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h12H,2-5H2,1H3,(H,10,11)

InChIKey

DXSZKDOOHOBZMT-UHFFFAOYSA-N

Compound name

(2-butyl-4-chloro-1H-imidazol-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 270
Patents: 188.07164 Da
Monoisotopic Mass: 1.9
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]+	189.07892	139.4
[M+Na]+	211.06086	151.0
[M+NH4]+	206.10546	146.7
[M+K]+	227.03480	146.6
[M-H]-	187.06436	138.7
[M+Na-2H]-	209.04631	143.5
[M]+	188.07109	140.9
[M]-	188.07219	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe