CID 19672

Propinal

Structural Information

Molecular Formula

C₁₆H₂₅NO₃

SMILES

CCCC1=CC(=C(C=C1)OCC(=O)N(CC)CC)OC

InChI

InChI=1S/C16H25NO3/c1-5-8-13-9-10-14(15(11-13)19-4)20-12-16(18)17(6-2)7-3/h9-11H,5-8,12H2,1-4H3

InChIKey

BOORGPJEETYENA-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-(2-methoxy-4-propylphenoxy)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 279.18344 Da
Monoisotopic Mass: 3.5
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]+	280.190716	168.2
[M+Na]+	302.172658	173.7
[M-H]-	278.176164	172.7
[M+NH4]+	297.217263	185.0
[M+K]+	318.146598	173.0
[M+H-H2O]+	262.180700	160.7
[M+HCOO]-	324.181641	191.8
[M+CH3COO]-	338.197291	208.4
[M+Na-2H]-	300.158106	169.6
[M]+	279.18289142	174.9
[M]-	279.18398858	174.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe