CID 4722632

831203-36-2

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

COCCNCC1=CC=CO1

InChI

InChI=1S/C8H13NO2/c1-10-6-4-9-7-8-3-2-5-11-8/h2-3,5,9H,4,6-7H2,1H3

InChIKey

SORZPLSUZRRMRL-UHFFFAOYSA-N

Compound name

N-(furan-2-ylmethyl)-2-methoxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 155.09464 Da
Monoisotopic Mass: 0.2
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]+	156.10192	132.5
[M+Na]+	178.08386	142.8
[M+NH4]+	173.12846	140.8
[M+K]+	194.05780	139.0
[M-H]-	154.08736	135.5
[M+Na-2H]-	176.06931	137.9
[M]+	155.09409	134.6
[M]-	155.09519	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe