CID 88580

1-(2-aminoethyl)-2-heptyl-2-imidazoline

Structural Information

Molecular Formula

C₁₂H₂₅N₃

SMILES

CCCCCCCC1=NCCN1CCN

InChI

InChI=1S/C12H25N3/c1-2-3-4-5-6-7-12-14-9-11-15(12)10-8-13/h2-11,13H2,1H3

InChIKey

LIOIKZJJHQUNKR-UHFFFAOYSA-N

Compound name

2-(2-heptyl-4,5-dihydroimidazol-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 211.20485 Da
Monoisotopic Mass: 1.5
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]+	212.212126	153.9
[M+Na]+	234.194068	158.9
[M-H]-	210.197574	153.2
[M+NH4]+	229.238673	171.4
[M+K]+	250.168008	156.2
[M+H-H2O]+	194.202110	145.6
[M+HCOO]-	256.203051	174.5
[M+CH3COO]-	270.218701	191.5
[M+Na-2H]-	232.179516	155.7
[M]+	211.20430142	153.8
[M]-	211.20539858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe