CID 6454523

63145-11-9

Structural Information

Molecular Formula

C₁₂H₂₈N₂O₂

SMILES

CC(CCOCCCN)CCOCCCN

InChI

InChI=1S/C12H28N2O2/c1-12(4-10-15-8-2-6-13)5-11-16-9-3-7-14/h12H,2-11,13-14H2,1H3

InChIKey

YAGKYVUYEIAZDQ-UHFFFAOYSA-N

Compound name

3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 285
Patents: 232.21507 Da
Monoisotopic Mass: 0.3
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]+	233.222346	160.5
[M+Na]+	255.204288	163.1
[M-H]-	231.207794	158.4
[M+NH4]+	250.248893	177.2
[M+K]+	271.178228	161.9
[M+H-H2O]+	215.212330	153.5
[M+HCOO]-	277.213271	182.5
[M+CH3COO]-	291.228921	198.6
[M+Na-2H]-	253.189736	161.3
[M]+	232.21452142	162.5
[M]-	232.21561858	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe