CID 211632

23489-03-4

Structural Information

Molecular Formula

C₁₇H₃₆N

SMILES

CCCCCCCCCC[N+]1(CCCCC1)CC

InChI

InChI=1S/C17H36N/c1-3-5-6-7-8-9-10-12-15-18(4-2)16-13-11-14-17-18/h3-17H2,1-2H3/q+1

InChIKey

YHWKLBXWIWWVSL-UHFFFAOYSA-N

Compound name

1-decyl-1-ethylpiperidin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 254.28477 Da
Monoisotopic Mass: 6.0
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	168.3
[M+Na]+	277.273988	170.0
[M-H]-	253.277494	168.3
[M+NH4]+	272.318593	185.8
[M+K]+	293.247928	161.5
[M+H-H2O]+	237.282030	163.9
[M+HCOO]-	299.282971	184.1
[M+CH3COO]-	313.298621	192.7
[M+Na-2H]-	275.259436	172.5
[M]+	254.28422142	165.9
[M]-	254.28531858	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe