CID 258227

88328-38-5

Structural Information

Molecular Formula

C₁₄H₂₈N₂O₂

SMILES

C1CCC(C(C1)NCCNC2CCCCC2O)O

InChI

InChI=1S/C14H28N2O2/c17-13-7-3-1-5-11(13)15-9-10-16-12-6-2-4-8-14(12)18/h11-18H,1-10H2

InChIKey

ZVJVIJLBSOROFT-UHFFFAOYSA-N

Compound name

2-[2-[(2-hydroxycyclohexyl)amino]ethylamino]cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 256.2151 Da
Monoisotopic Mass: 0.7
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]+	257.22238	161.5
[M+Na]+	279.20432	161.1
[M-H]-	255.20782	163.1
[M+NH4]+	274.24892	175.8
[M+K]+	295.17826	157.7
[M+H-H2O]+	239.21236	154.1
[M+HCOO]-	301.21330	176.5
[M+CH3COO]-	315.22895	195.8
[M+Na-2H]-	277.18977	162.1
[M]+	256.21455	150.5
[M]-	256.21565	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe