CID 93411

Schembl23961282

Structural Information

Molecular Formula

C₁₅H₃₃NO

SMILES

CCOCCCCCCCCCCCCCN

InChI

InChI=1S/C15H33NO/c1-2-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16/h2-16H2,1H3

InChIKey

WDUHHNYXTSHFFU-UHFFFAOYSA-N

Compound name

13-ethoxytridecan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 243.25621 Da
Monoisotopic Mass: 4.7
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]+	244.263486	167.0
[M+Na]+	266.245428	169.5
[M-H]-	242.248934	164.9
[M+NH4]+	261.290033	184.1
[M+K]+	282.219368	167.0
[M+H-H2O]+	226.253470	160.2
[M+HCOO]-	288.254411	188.4
[M+CH3COO]-	302.270061	200.6
[M+Na-2H]-	264.230876	168.4
[M]+	243.25566142	171.3
[M]-	243.25675858	171.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe