CID 430077

56501-31-6

Structural Information

Molecular Formula

C₂₁H₄₄N

SMILES

CCCCCCCCCCCCCC[N+]1(CCCCC1)CC

InChI

InChI=1S/C21H44N/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-22(4-2)20-17-15-18-21-22/h3-21H2,1-2H3/q+1

InChIKey

UDCKVBVPXHCFCU-UHFFFAOYSA-N

Compound name

1-ethyl-1-tetradecylpiperidin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 310.34738 Da
Monoisotopic Mass: 8.2
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]+	311.35466	186.1
[M+Na]+	333.33660	186.1
[M-H]-	309.34010	185.3
[M+NH4]+	328.38120	201.3
[M+K]+	349.31054	176.6
[M+H-H2O]+	293.34464	180.9
[M+HCOO]-	355.34558	200.6
[M+CH3COO]-	369.36123	204.7
[M+Na-2H]-	331.32205	188.1
[M]+	310.34683	185.2
[M]-	310.34793	185.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe