CID 89890

22890-11-5

Structural Information

Molecular Formula

C₁₅H₃₂N₂O

SMILES

CCCCCCCCCC(=O)NCCCN(C)C

InChI

InChI=1S/C15H32N2O/c1-4-5-6-7-8-9-10-12-15(18)16-13-11-14-17(2)3/h4-14H2,1-3H3,(H,16,18)

InChIKey

RJKMWJVKIHZOSU-UHFFFAOYSA-N

Compound name

N-[3-(dimethylamino)propyl]decanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 118
Patents: 256.25146 Da
Monoisotopic Mass: 4.0
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	170.8
[M+Na]+	279.24068	172.9
[M-H]-	255.24418	170.9
[M+NH4]+	274.28528	188.0
[M+K]+	295.21462	171.9
[M+H-H2O]+	239.24872	163.6
[M+HCOO]-	301.24966	193.6
[M+CH3COO]-	315.26531	208.8
[M+Na-2H]-	277.22613	171.4
[M]+	256.25091	175.1
[M]-	256.25201	175.1

Literature stripe

literature stripe

Patent stripe

patents stripe