CID 16641201

Chembl213841

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CN(C)CCCCC=C

InChI

InChI=1S/C8H17N/c1-4-5-6-7-8-9(2)3/h4H,1,5-8H2,2-3H3

InChIKey

BFWMEERFFFTSIH-UHFFFAOYSA-N

Compound name

N,N-dimethylhex-5-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 50
Patents: 127.1361 Da
Monoisotopic Mass: 2.1
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]+	128.14338	130.4
[M+Na]+	150.12532	136.4
[M-H]-	126.12882	131.9
[M+NH4]+	145.16992	153.2
[M+K]+	166.09926	136.5
[M+H-H2O]+	110.13336	125.3
[M+HCOO]-	172.13430	155.3
[M+CH3COO]-	186.14995	180.8
[M+Na-2H]-	148.11077	136.0
[M]+	127.13555	132.2
[M]-	127.13665	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe