CID 2735673

68283-19-2

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

CCCCC1=NC=C(N1)CO

InChI

InChI=1S/C8H14N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5,11H,2-4,6H2,1H3,(H,9,10)

InChIKey

UZKBZGAMRJRWLR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 500
Patents: 154.11061 Da
Monoisotopic Mass: 0.9
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]+	155.11789	134.4
[M+Na]+	177.09983	142.3
[M-H]-	153.10333	132.6
[M+NH4]+	172.14443	153.5
[M+K]+	193.07377	139.4
[M+H-H2O]+	137.10787	127.9
[M+HCOO]-	199.10881	154.6
[M+CH3COO]-	213.12446	171.7
[M+Na-2H]-	175.08528	139.0
[M]+	154.11006	133.7
[M]-	154.11116	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe