CID 169387

31978-07-1

Structural Information

Molecular Formula

C₁₇H₃₆N

SMILES

CCCCCCCCCCCC[N+](C)(C)CC=C

InChI

InChI=1S/C17H36N/c1-5-7-8-9-10-11-12-13-14-15-17-18(3,4)16-6-2/h6H,2,5,7-17H2,1,3-4H3/q+1

InChIKey

GEZBAJKNFISLOX-UHFFFAOYSA-N

Compound name

dodecyl-dimethyl-prop-2-enylazanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 325
Patents: 254.28477 Da
Monoisotopic Mass: 6.5
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]+	255.292046	169.0
[M+Na]+	277.273988	172.2
[M-H]-	253.277494	169.4
[M+NH4]+	272.318593	187.0
[M+K]+	293.247928	164.1
[M+H-H2O]+	237.282030	165.9
[M+HCOO]-	299.282971	190.0
[M+CH3COO]-	313.298621	201.2
[M+Na-2H]-	275.259436	174.1
[M]+	254.28422142	172.8
[M]-	254.28531858	172.8

Literature stripe

literature stripe

Patent stripe

patents stripe