CID 65596

Laurixamine

Structural Information

Molecular Formula

C₁₅H₃₃NO

SMILES

CCCCCCCCCCCCOCCCN

InChI

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

InChIKey

ZRJOUVOXPWNFOF-UHFFFAOYSA-N

Compound name

3-dodecoxypropan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 2163
Patents: 243.25621 Da
Monoisotopic Mass: 5.1
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]+	244.26349	167.0
[M+Na]+	266.24543	169.5
[M-H]-	242.24893	164.9
[M+NH4]+	261.29003	184.1
[M+K]+	282.21937	167.0
[M+H-H2O]+	226.25347	160.2
[M+HCOO]-	288.25441	188.4
[M+CH3COO]-	302.27006	200.6
[M+Na-2H]-	264.23088	168.4
[M]+	243.25566	171.3
[M]-	243.25676	171.3

Literature stripe

literature stripe

Patent stripe

patents stripe