CID 57483251

Ec 613-971-6

Structural Information

Molecular Formula

C₁₆H₃₂N₂O

SMILES

CN(C)CCCNC(=O)CCCCCCCCC=C

InChI

InChI=1S/C16H32N2O/c1-4-5-6-7-8-9-10-11-13-16(19)17-14-12-15-18(2)3/h4H,1,5-15H2,2-3H3,(H,17,19)

InChIKey

AYGYDSKVANLUER-UHFFFAOYSA-N

Compound name

N-[3-(dimethylamino)propyl]undec-10-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 268.25146 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]+	269.25874	173.7
[M+Na]+	291.24068	175.6
[M-H]-	267.24418	173.6
[M+NH4]+	286.28528	190.3
[M+K]+	307.21462	173.8
[M+H-H2O]+	251.24872	166.3
[M+HCOO]-	313.24966	196.4
[M+CH3COO]-	327.26531	210.9
[M+Na-2H]-	289.22613	173.8
[M]+	268.25091	177.7
[M]-	268.25201	177.7

Literature stripe

literature stripe

Patent stripe

patents stripe