CID 3049314

64647-12-7

Structural Information

Molecular Formula

C₁₁H₂₂NO

SMILES

C[N+]1(CCCCC1)C2CCCOC2

InChI

InChI=1S/C11H22NO/c1-12(7-3-2-4-8-12)11-6-5-9-13-10-11/h11H,2-10H2,1H3/q+1

InChIKey

ZRQPPWTWYBUVRM-UHFFFAOYSA-N

Compound name

1-methyl-1-(oxan-3-yl)piperidin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.17014 Da
Monoisotopic Mass: 1.5
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]+	185.177416	143.1
[M+Na]+	207.159358	145.5
[M-H]-	183.162864	147.5
[M+NH4]+	202.203963	161.4
[M+K]+	223.133298	139.9
[M+H-H2O]+	167.167400	138.5
[M+HCOO]-	229.168341	157.4
[M+CH3COO]-	243.183991	173.0
[M+Na-2H]-	205.144806	150.6
[M]+	184.16959142	133.6
[M]-	184.17068858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.