CID 84589

1-propanamine, 3-(tridecyloxy)-

Structural Information

Molecular Formula

C₁₆H₃₅NO

SMILES

CCCCCCCCCCCCCOCCCN

InChI

InChI=1S/C16H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17/h2-17H2,1H3

InChIKey

JPNCZSADMGXVPA-UHFFFAOYSA-N

Compound name

3-tridecoxypropan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 578
Patents: 257.27185 Da
Monoisotopic Mass: 5.6
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]+	258.279126	171.4
[M+Na]+	280.261068	173.5
[M-H]-	256.264574	169.1
[M+NH4]+	275.305673	188.0
[M+K]+	296.235008	170.8
[M+H-H2O]+	240.269110	164.5
[M+HCOO]-	302.270051	192.5
[M+CH3COO]-	316.285701	203.6
[M+Na-2H]-	278.246516	172.3
[M]+	257.27130142	176.1
[M]-	257.27239858	176.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe