CID 6390621

40267-53-6

Structural Information

Molecular Formula

C₁₄H₂₇N

SMILES

CCN(CC)C/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C14H27N/c1-6-15(7-2)12-11-14(5)10-8-9-13(3)4/h9,11H,6-8,10,12H2,1-5H3/b14-11+

InChIKey

XDEJHXKVKISANH-SDNWHVSQSA-N

Compound name

(2E)-N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 139
Patents: 209.21436 Da
Monoisotopic Mass: 4.4
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]+	210.22164	157.1
[M+Na]+	232.20358	165.4
[M+NH4]+	227.24818	164.1
[M+K]+	248.17752	158.9
[M-H]-	208.20708	157.1
[M+Na-2H]-	230.18903	159.1
[M]+	209.21381	158.0
[M]-	209.21491	158.0

Literature stripe

literature stripe

Patent stripe

patents stripe