CID 82088

1-propanamine, 3-(decyloxy)-

Structural Information

Molecular Formula

C₁₃H₂₉NO

SMILES

CCCCCCCCCCOCCCN

InChI

InChI=1S/C13H29NO/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14/h2-14H2,1H3

InChIKey

TWXCJZHSMRBNGO-UHFFFAOYSA-N

Compound name

3-decoxypropan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 953
Patents: 215.22491 Da
Monoisotopic Mass: 4.0
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]+	216.23219	158.0
[M+Na]+	238.21413	161.4
[M-H]-	214.21763	156.4
[M+NH4]+	233.25873	176.3
[M+K]+	254.18807	159.4
[M+H-H2O]+	198.22217	151.7
[M+HCOO]-	260.22311	180.1
[M+CH3COO]-	274.23876	194.5
[M+Na-2H]-	236.19958	160.5
[M]+	215.22436	161.6
[M]-	215.22546	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.