CID 782822

Benzyl(methyl)[(5-methylfuran-2-yl)methyl]amine

Structural Information

Molecular Formula

C₁₄H₁₇NO

SMILES

CC1=CC=C(O1)CN(C)CC2=CC=CC=C2

InChI

InChI=1S/C14H17NO/c1-12-8-9-14(16-12)11-15(2)10-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3

InChIKey

PLXKOSIEYNAHBU-UHFFFAOYSA-N

Compound name

N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 215.13101 Da
Monoisotopic Mass: 2.8
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]+	216.138286	149.5
[M+Na]+	238.120228	156.4
[M-H]-	214.123734	158.3
[M+NH4]+	233.164833	169.0
[M+K]+	254.094168	155.5
[M+H-H2O]+	198.128270	142.5
[M+HCOO]-	260.129211	175.6
[M+CH3COO]-	274.144861	193.4
[M+Na-2H]-	236.105676	154.8
[M]+	215.13046142	152.4
[M]-	215.13155858	152.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.