CID 328860

Chembl276375

Structural Information

Molecular Formula

C₁₃H₁₇N

SMILES

CC=C=CCN(C)CC1=CC=CC=C1

InChI

InChI=1S/C13H17N/c1-3-4-8-11-14(2)12-13-9-6-5-7-10-13/h3,5-10H,11-12H2,1-2H3

InChIKey

XVHFYIVMBDAHOJ-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 187.1361 Da
Monoisotopic Mass: 2.2
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]+	188.14338	144.2
[M+Na]+	210.12532	149.9
[M-H]-	186.12882	148.6
[M+NH4]+	205.16992	164.3
[M+K]+	226.09926	147.2
[M+H-H2O]+	170.13336	137.5
[M+HCOO]-	232.13430	169.4
[M+CH3COO]-	246.14995	188.7
[M+Na-2H]-	208.11077	149.8
[M]+	187.13555	144.5
[M]-	187.13665	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.