CID 16205243

1-aminotetradecanone

Structural Information

Molecular Formula

C₁₄H₂₉NO

SMILES

CCCCCCCCCCCCC(=O)CN

InChI

InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h2-13,15H2,1H3

InChIKey

JPDCAAMJJHFYPK-UHFFFAOYSA-N

Compound name

1-aminotetradecan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 227.22491 Da
Monoisotopic Mass: 4.8
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]+	228.232186	162.2
[M+Na]+	250.214128	165.2
[M-H]-	226.217634	160.4
[M+NH4]+	245.258733	179.8
[M+K]+	266.188068	162.8
[M+H-H2O]+	210.222170	155.8
[M+HCOO]-	272.223111	183.1
[M+CH3COO]-	286.238761	197.4
[M+Na-2H]-	248.199576	162.8
[M]+	227.22436142	164.7
[M]-	227.22545858	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe