CID 86091

16899-74-4

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CC=CC=CC(=O)OCCN(C)C

InChI

InChI=1S/C10H17NO2/c1-4-5-6-7-10(12)13-9-8-11(2)3/h4-7H,8-9H2,1-3H3

InChIKey

BBGPLJAAAZDEGF-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl hexa-2,4-dienoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 183.12593 Da
Monoisotopic Mass: 1.6
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]+	184.13321	143.6
[M+Na]+	206.11515	149.4
[M-H]-	182.11865	144.9
[M+NH4]+	201.15975	164.1
[M+K]+	222.08909	149.1
[M+H-H2O]+	166.12319	138.0
[M+HCOO]-	228.12413	167.8
[M+CH3COO]-	242.13978	187.6
[M+Na-2H]-	204.10060	146.9
[M]+	183.12538	146.8
[M]-	183.12648	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe