CID 5368051

4361-80-2

Structural Information

Molecular Formula

C₁₆H₂₃NO₂

SMILES

CCN(CC)CCCOC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C16H23NO2/c1-3-17(4-2)13-8-14-19-16(18)12-11-15-9-6-5-7-10-15/h5-7,9-12H,3-4,8,13-14H2,1-2H3/b12-11+

InChIKey

CHLMFHKZCVSJIJ-VAWYXSNFSA-N

Compound name

3-(diethylamino)propyl (E)-3-phenylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 261.17288 Da
Monoisotopic Mass: 3.8
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]+	262.180156	165.3
[M+Na]+	284.162098	169.4
[M-H]-	260.165604	169.1
[M+NH4]+	279.206703	182.2
[M+K]+	300.136038	167.4
[M+H-H2O]+	244.170140	157.6
[M+HCOO]-	306.171081	189.0
[M+CH3COO]-	320.186731	202.5
[M+Na-2H]-	282.147546	168.0
[M]+	261.17233142	168.9
[M]-	261.17342858	168.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe