CID 4279464

4-({[(furan-2-yl)methyl]amino}methyl)phenol

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

C1=COC(=C1)CNCC2=CC=C(C=C2)O

InChI

InChI=1S/C12H13NO2/c14-11-5-3-10(4-6-11)8-13-9-12-2-1-7-15-12/h1-7,13-14H,8-9H2

InChIKey

JBPCVNXGKWPNRG-UHFFFAOYSA-N

Compound name

4-[(furan-2-ylmethylamino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 203.09464 Da
Monoisotopic Mass: 1.5
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]+	204.10192	144.6
[M+Na]+	226.08386	156.9
[M+NH4]+	221.12846	153.1
[M+K]+	242.05780	152.1
[M-H]-	202.08736	149.9
[M+Na-2H]-	224.06931	152.3
[M]+	203.09409	147.7
[M]-	203.09519	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe