CID 82593

N-(3-aminopropyl)dodecanamide

Structural Information

Molecular Formula

C₁₅H₃₂N₂O

SMILES

CCCCCCCCCCCC(=O)NCCCN

InChI

InChI=1S/C15H32N2O/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-14-11-13-16/h2-14,16H2,1H3,(H,17,18)

InChIKey

FTRKNUBBAPIZMS-UHFFFAOYSA-N

Compound name

N-(3-aminopropyl)dodecanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 580
Patents: 256.25146 Da
Monoisotopic Mass: 4.1
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]+	257.25874	170.0
[M+Na]+	279.24068	171.8
[M-H]-	255.24418	168.0
[M+NH4]+	274.28528	186.1
[M+K]+	295.21462	169.1
[M+H-H2O]+	239.24872	162.8
[M+HCOO]-	301.24966	191.6
[M+CH3COO]-	315.26531	204.7
[M+Na-2H]-	277.22613	170.3
[M]+	256.25091	172.0
[M]-	256.25201	172.0

Literature stripe

literature stripe

Patent stripe

patents stripe