CID 3055619

2-(pentamethylbenzyl)imidazoline hydrochloride

Structural Information

Molecular Formula

C₁₅H₂₂N₂

SMILES

CC1=C(C(=C(C(=C1C)C)CC2=NCCN2)C)C

InChI

InChI=1S/C15H22N2/c1-9-10(2)12(4)14(13(5)11(9)3)8-15-16-6-7-17-15/h6-8H2,1-5H3,(H,16,17)

InChIKey

ODYNDOVGULLNLJ-UHFFFAOYSA-N

Compound name

2-[(2,3,4,5,6-pentamethylphenyl)methyl]-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 230.1783 Da
Monoisotopic Mass: 4.5
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]+	231.185576	155.9
[M+Na]+	253.167518	165.4
[M-H]-	229.171024	159.4
[M+NH4]+	248.212123	173.5
[M+K]+	269.141458	160.4
[M+H-H2O]+	213.175560	148.6
[M+HCOO]-	275.176501	175.2
[M+CH3COO]-	289.192151	193.8
[M+Na-2H]-	251.152966	155.8
[M]+	230.17775142	155.9
[M]-	230.17884858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe