CID 478555

(1-propyl-but-3-enyl)-p-tolyl-amine

Structural Information

Molecular Formula

C₁₄H₂₁N

SMILES

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

InChI

InChI=1S/C14H21N/c1-4-6-13(7-5-2)15-14-10-8-12(3)9-11-14/h4,8-11,13,15H,1,5-7H2,2-3H3

InChIKey

WRNCMJZTZKHNNG-UHFFFAOYSA-N

Compound name

N-hept-1-en-4-yl-4-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 203.1674 Da
Monoisotopic Mass: 4.7
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]+	204.174676	149.8
[M+Na]+	226.156618	155.2
[M-H]-	202.160124	152.8
[M+NH4]+	221.201223	168.8
[M+K]+	242.130558	151.9
[M+H-H2O]+	186.164660	143.3
[M+HCOO]-	248.165601	172.9
[M+CH3COO]-	262.181251	192.4
[M+Na-2H]-	224.142066	153.7
[M]+	203.16685142	149.8
[M]-	203.16794858	149.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.