CID 4712271

3-(1h-imidazol-1-yl)propan-1-ol

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

C1=CN(C=N1)CCCO

InChI

InChI=1S/C6H10N2O/c9-5-1-3-8-4-2-7-6-8/h2,4,6,9H,1,3,5H2

InChIKey

RYZVYLGJZFNBND-UHFFFAOYSA-N

Compound name

3-imidazol-1-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1033
Patents: 126.079315 Da
Monoisotopic Mass: -0.4
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]+	127.08659	124.7
[M+Na]+	149.06853	132.9
[M-H]-	125.07204	124.2
[M+NH4]+	144.11314	145.3
[M+K]+	165.04247	131.5
[M+H-H2O]+	109.07658	117.9
[M+HCOO]-	171.07752	147.1
[M+CH3COO]-	185.09317	167.2
[M+Na-2H]-	147.05398	131.5
[M]+	126.07877	124.8
[M]-	126.07986	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe