CID 75539

N-methyloctadecylamine

Structural Information

Molecular Formula

C₁₉H₄₁N

SMILES

CCCCCCCCCCCCCCCCCCNC

InChI

InChI=1S/C19H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h20H,3-19H2,1-2H3

InChIKey

SZEGKVHRCLBFKJ-UHFFFAOYSA-N

Compound name

N-methyloctadecan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 9398
Patents: 283.3239 Da
Monoisotopic Mass: 8.6
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]+	284.33118	181.4
[M+Na]+	306.31312	182.3
[M-H]-	282.31662	179.2
[M+NH4]+	301.35772	197.3
[M+K]+	322.28706	178.7
[M+H-H2O]+	266.32116	174.2
[M+HCOO]-	328.32210	201.9
[M+CH3COO]-	342.33775	211.4
[M+Na-2H]-	304.29857	181.8
[M]+	283.32335	186.9
[M]-	283.32445	186.9

Literature stripe

literature stripe

Patent stripe

patents stripe