CID 169928

1h-imidazole-1-ethanol, 4,5-dihydro-2-nonyl-

Structural Information

Molecular Formula

C₁₄H₂₈N₂O

SMILES

CCCCCCCCCC1=NCCN1CCO

InChI

InChI=1S/C14H28N2O/c1-2-3-4-5-6-7-8-9-14-15-10-11-16(14)12-13-17/h17H,2-13H2,1H3

InChIKey

SCBMJZZCHOUEQV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 136
Patents: 240.22017 Da
Monoisotopic Mass: 2.8
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]+	241.22745	162.7
[M+Na]+	263.20939	167.3
[M-H]-	239.21289	160.7
[M+NH4]+	258.25399	178.9
[M+K]+	279.18333	164.1
[M+H-H2O]+	223.21743	154.6
[M+HCOO]-	285.21837	180.9
[M+CH3COO]-	299.23402	192.7
[M+Na-2H]-	261.19484	163.5
[M]+	240.21962	164.6
[M]-	240.22072	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe