CID 17386

1-aminopentadecane

Structural Information

Molecular Formula

C₁₅H₃₃N

SMILES

CCCCCCCCCCCCCCCN

InChI

InChI=1S/C15H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-16H2,1H3

InChIKey

JPZYXGPCHFZBHO-UHFFFAOYSA-N

Compound name

pentadecan-1-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 12601
Patents: 227.2613 Da
Monoisotopic Mass: 6.9
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]+	228.26858	164.0
[M+Na]+	250.25052	166.6
[M-H]-	226.25402	162.0
[M+NH4]+	245.29512	181.9
[M+K]+	266.22446	163.6
[M+H-H2O]+	210.25856	157.5
[M+HCOO]-	272.25950	185.2
[M+CH3COO]-	286.27515	198.7
[M+Na-2H]-	248.23597	165.4
[M]+	227.26075	166.9
[M]-	227.26185	166.9

Literature stripe

literature stripe

Patent stripe

patents stripe