CID 478554

Phenyl-(1-propyl-but-3-enyl)-amine

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

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

InChI

InChI=1S/C13H19N/c1-3-8-12(9-4-2)14-13-10-6-5-7-11-13/h3,5-7,10-12,14H,1,4,8-9H2,2H3

InChIKey

MAHSKGJTNYQNKJ-UHFFFAOYSA-N

Compound name

N-hept-1-en-4-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 189.15175 Da
Monoisotopic Mass: 4.3
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]+	190.15903	145.7
[M+Na]+	212.14097	150.5
[M-H]-	188.14447	148.5
[M+NH4]+	207.18557	164.9
[M+K]+	228.11491	147.4
[M+H-H2O]+	172.14901	139.1
[M+HCOO]-	234.14995	169.1
[M+CH3COO]-	248.16560	188.3
[M+Na-2H]-	210.12642	150.8
[M]+	189.15120	144.9
[M]-	189.15230	144.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.