CID 14671747

66357-60-6

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

CNCC1=CC=C(O1)CO

InChI

InChI=1S/C7H11NO2/c1-8-4-6-2-3-7(5-9)10-6/h2-3,8-9H,4-5H2,1H3

InChIKey

YNROOCMHXMKDGB-UHFFFAOYSA-N

Compound name

[5-(methylaminomethyl)furan-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 141.07898 Da
Monoisotopic Mass: -0.5
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]+	142.08626	128.0
[M+Na]+	164.06820	138.3
[M+NH4]+	159.11280	136.1
[M+K]+	180.04214	135.2
[M-H]-	140.07170	130.5
[M+Na-2H]-	162.05365	132.8
[M]+	141.07843	129.9
[M]-	141.07953	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe