CID 11686942

(1-isobutyl-1h-imidazol-5-yl)methanol

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

CC(C)CN1C=NC=C1CO

InChI

InChI=1S/C8H14N2O/c1-7(2)4-10-6-9-3-8(10)5-11/h3,6-7,11H,4-5H2,1-2H3

InChIKey

QHLQRYOQMUYPSS-UHFFFAOYSA-N

Compound name

[3-(2-methylpropyl)imidazol-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 154.11061 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]+	155.11789	134.1
[M+Na]+	177.09983	142.1
[M-H]-	153.10333	133.8
[M+NH4]+	172.14443	153.9
[M+K]+	193.07377	140.7
[M+H-H2O]+	137.10787	127.4
[M+HCOO]-	199.10881	154.9
[M+CH3COO]-	213.12446	175.1
[M+Na-2H]-	175.08528	138.0
[M]+	154.11006	134.7
[M]-	154.11116	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe