CID 20850

4730-16-9

Structural Information

Molecular Formula

C₁₁H₂₁N

SMILES

CC(CCC=C(C)C)NCC=C

InChI

InChI=1S/C11H21N/c1-5-9-12-11(4)8-6-7-10(2)3/h5,7,11-12H,1,6,8-9H2,2-4H3

InChIKey

DZDMCNWRZMNEGT-UHFFFAOYSA-N

Compound name

6-methyl-N-prop-2-enylhept-5-en-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.1674 Da
Monoisotopic Mass: 3.2
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]+	168.17468	143.9
[M+Na]+	190.15662	152.6
[M+NH4]+	185.20122	151.2
[M+K]+	206.13056	146.3
[M-H]-	166.16012	143.7
[M+Na-2H]-	188.14207	146.5
[M]+	167.16685	144.8
[M]-	167.16795	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.