CID 57351458

Dtxsid20722353

Structural Information

Molecular Formula

C₁₁H₁₉NO

SMILES

CCC=CCCC=CC(=O)NCC

InChI

InChI=1S/C11H19NO/c1-3-5-6-7-8-9-10-11(13)12-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,12,13)

InChIKey

ARSJQOAYGVNWEK-UHFFFAOYSA-N

Compound name

N-ethylnona-2,6-dienamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 156
Patents: 181.14667 Da
Monoisotopic Mass: 2.4
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]+	182.15395	145.6
[M+Na]+	204.13589	150.8
[M-H]-	180.13939	145.2
[M+NH4]+	199.18049	165.5
[M+K]+	220.10983	148.3
[M+H-H2O]+	164.14393	140.1
[M+HCOO]-	226.14487	168.7
[M+CH3COO]-	240.16052	185.2
[M+Na-2H]-	202.12134	149.0
[M]+	181.14612	146.4
[M]-	181.14722	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe