CID 3016386

42822-98-0

Structural Information

Molecular Formula

C₁₆H₂₃N

SMILES

CC(CCC=C(C)C)CC=NC1=CC=CC=C1

InChI

InChI=1S/C16H23N/c1-14(2)8-7-9-15(3)12-13-17-16-10-5-4-6-11-16/h4-6,8,10-11,13,15H,7,9,12H2,1-3H3

InChIKey

YISAHFPSGNFFAI-UHFFFAOYSA-N

Compound name

3,7-dimethyl-N-phenyloct-6-en-1-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 7
Patents: 229.18304 Da
Monoisotopic Mass: 4.8
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]+	230.190316	158.6
[M+Na]+	252.172258	162.8
[M-H]-	228.175764	162.5
[M+NH4]+	247.216863	177.0
[M+K]+	268.146198	159.8
[M+H-H2O]+	212.180300	151.4
[M+HCOO]-	274.181241	181.8
[M+CH3COO]-	288.196891	198.6
[M+Na-2H]-	250.157706	161.3
[M]+	229.18249142	159.4
[M]-	229.18358858	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe