CID 3041946

2-hexenamide, 3-propyl-

Structural Information

Molecular Formula

SMILES

CCCC(=CC(=O)N)CCC

InChI

InChI=1S/C9H17NO/c1-3-5-8(6-4-2)7-9(10)11/h7H,3-6H2,1-2H3,(H2,10,11)

InChIKey

NHMYHAJXJQVPIO-UHFFFAOYSA-N

Compound name

3-propylhex-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 155.13101 Da
Monoisotopic Mass: 2.5
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]+	156.13829	138.1
[M+Na]+	178.12023	146.4
[M+NH4]+	173.16483	144.9
[M+K]+	194.09417	141.3
[M-H]-	154.12373	137.2
[M+Na-2H]-	176.10568	140.2
[M]+	155.13046	138.6
[M]-	155.13156	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe