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: 581
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]+	155.117886	134.4
[M+Na]+	177.099828	142.3
[M-H]-	153.103334	132.6
[M+NH4]+	172.144433	153.5
[M+K]+	193.073768	139.4
[M+H-H2O]+	137.107870	127.9
[M+HCOO]-	199.108811	154.6
[M+CH3COO]-	213.124461	171.7
[M+Na-2H]-	175.085276	139.0
[M]+	154.11006142	133.7
[M]-	154.11115858	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe