CID 39338

N-(phenylmethyl)-2-furanmethanamine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

C1=CC=C(C=C1)CNCC2=CC=CO2

InChI

InChI=1S/C12H13NO/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8,13H,9-10H2

InChIKey

WDTGNYDDCJERKR-UHFFFAOYSA-N

Compound name

N-(furan-2-ylmethyl)-1-phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 59
Patents: 187.09972 Da
Monoisotopic Mass: 1.9
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]+	188.10700	141.2
[M+Na]+	210.08894	154.3
[M+NH4]+	205.13354	150.8
[M+K]+	226.06288	148.4
[M-H]-	186.09244	147.5
[M+Na-2H]-	208.07439	150.3
[M]+	187.09917	144.9
[M]-	187.10027	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe