CID 3018705

N-decylacrylamide

Structural Information

Molecular Formula

C₁₃H₂₅NO

SMILES

CCCCCCCCCCNC(=O)C=C

InChI

InChI=1S/C13H25NO/c1-3-5-6-7-8-9-10-11-12-14-13(15)4-2/h4H,2-3,5-12H2,1H3,(H,14,15)

InChIKey

AWDYCSUWSUENQK-UHFFFAOYSA-N

Compound name

N-decylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2481
Patents: 211.19362 Da
Monoisotopic Mass: 4.6
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]+	212.200896	155.9
[M+Na]+	234.182838	159.7
[M-H]-	210.186344	154.9
[M+NH4]+	229.227443	174.5
[M+K]+	250.156778	157.3
[M+H-H2O]+	194.190880	149.8
[M+HCOO]-	256.191821	178.0
[M+CH3COO]-	270.207471	193.5
[M+Na-2H]-	232.168286	158.1
[M]+	211.19307142	158.3
[M]-	211.19416858	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe