CID 155133

Cocoyl imidazoline

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

C1CN(C=N1)CCO

InChI

InChI=1S/C5H10N2O/c8-4-3-7-2-1-6-5-7/h5,8H,1-4H2

InChIKey

GOHZKUSWWGUUNR-UHFFFAOYSA-N

Compound name

2-(4,5-dihydroimidazol-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4948
Patents: 114.079315 Da
Monoisotopic Mass: -1.3
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]+	115.086591	122.3
[M+Na]+	137.068533	129.8
[M-H]-	113.072039	121.6
[M+NH4]+	132.113138	143.2
[M+K]+	153.042473	129.0
[M+H-H2O]+	97.076575	115.7
[M+HCOO]-	159.077516	143.5
[M+CH3COO]-	173.093166	164.5
[M+Na-2H]-	135.053981	128.6
[M]+	114.07876642	120.5
[M]-	114.07986358	120.5

Literature stripe

literature stripe

Patent stripe

patents stripe