CID 212973

25435-42-1

Structural Information

Molecular Formula

C₁₀H₁₈NO

SMILES

C[N+](C)(C)CCCC1=CC=CO1

InChI

InChI=1S/C10H18NO/c1-11(2,3)8-4-6-10-7-5-9-12-10/h5,7,9H,4,6,8H2,1-3H3/q+1

InChIKey

WHLLTAOPKBQYPW-UHFFFAOYSA-N

Compound name

3-(furan-2-yl)propyl-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.13884 Da
Monoisotopic Mass: 2.1
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]+	169.14612	136.0
[M+Na]+	191.12806	142.9
[M-H]-	167.13156	141.7
[M+NH4]+	186.17266	157.6
[M+K]+	207.10200	138.0
[M+H-H2O]+	151.13610	133.6
[M+HCOO]-	213.13704	160.8
[M+CH3COO]-	227.15269	177.8
[M+Na-2H]-	189.11351	146.4
[M]+	168.13829	137.9
[M]-	168.13939	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.