CID 3085814

72429-03-9

Structural Information

Molecular Formula

C₁₆H₂₁N

SMILES

CC(=CCCC(=CC=NC1=CC=CC=C1)C)C

InChI

InChI=1S/C16H21N/c1-14(2)8-7-9-15(3)12-13-17-16-10-5-4-6-11-16/h4-6,8,10-13H,7,9H2,1-3H3

InChIKey

IBACNGYLSFSPQM-UHFFFAOYSA-N

Compound name

3,7-dimethyl-N-phenylocta-2,6-dien-1-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 227.1674 Da
Monoisotopic Mass: 4.9
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]+	228.17468	157.3
[M+Na]+	250.15662	161.9
[M-H]-	226.16012	161.3
[M+NH4]+	245.20122	175.7
[M+K]+	266.13056	158.3
[M+H-H2O]+	210.16466	150.3
[M+HCOO]-	272.16560	180.7
[M+CH3COO]-	286.18125	197.1
[M+Na-2H]-	248.14207	160.1
[M]+	227.16685	157.3
[M]-	227.16795	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe