CID 3153468

3-{[(furan-2-yl)methyl]amino}propan-1-ol

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

C1=COC(=C1)CNCCCO

InChI

InChI=1S/C8H13NO2/c10-5-2-4-9-7-8-3-1-6-11-8/h1,3,6,9-10H,2,4-5,7H2

InChIKey

UCMRAPBPWXKDNL-UHFFFAOYSA-N

Compound name

3-(furan-2-ylmethylamino)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 155.09464 Da
Monoisotopic Mass: 0.1
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]+	156.10192	132.4
[M+Na]+	178.08386	138.7
[M-H]-	154.08736	135.0
[M+NH4]+	173.12846	152.8
[M+K]+	194.05780	138.1
[M+H-H2O]+	138.09190	126.7
[M+HCOO]-	200.09284	157.0
[M+CH3COO]-	214.10849	174.5
[M+Na-2H]-	176.06931	139.6
[M]+	155.09409	133.4
[M]-	155.09519	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe