CID 12803319

72338-60-4

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

C1=CN(C=N1)CCCCO

InChI

InChI=1S/C7H12N2O/c10-6-2-1-4-9-5-3-8-7-9/h3,5,7,10H,1-2,4,6H2

InChIKey

OWINPXLCNDSIRM-UHFFFAOYSA-N

Compound name

4-imidazol-1-ylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 105
Patents: 140.09496 Da
Monoisotopic Mass: 0.0
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]+	141.10224	129.3
[M+Na]+	163.08418	137.0
[M-H]-	139.08768	128.6
[M+NH4]+	158.12878	149.3
[M+K]+	179.05812	135.4
[M+H-H2O]+	123.09222	122.3
[M+HCOO]-	185.09316	151.3
[M+CH3COO]-	199.10881	170.2
[M+Na-2H]-	161.06963	135.6
[M]+	140.09441	129.7
[M]-	140.09551	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe