CID 47948

5-hmft

Structural Information

Molecular Formula

C₉H₁₆NO₂

SMILES

C[N+](C)(C)CC1=CC=C(O1)CO

InChI

InChI=1S/C9H16NO2/c1-10(2,3)6-8-4-5-9(7-11)12-8/h4-5,11H,6-7H2,1-3H3/q+1

InChIKey

AVULIABKIDWATN-UHFFFAOYSA-N

Compound name

[5-(hydroxymethyl)furan-2-yl]methyl-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 170.1181 Da
Monoisotopic Mass: 0.0
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]+	171.12538	133.8
[M+Na]+	193.10732	146.3
[M+NH4]+	188.15192	143.2
[M+K]+	209.08126	144.0
[M-H]-	169.11082	138.2
[M+Na-2H]-	191.09277	140.0
[M]+	170.11755	137.2
[M]-	170.11865	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe