CID 5046711

N-furfurylidene-m-toluidine

Structural Information

Molecular Formula

C₁₂H₁₁NO

SMILES

CC1=CC(=CC=C1)N=CC2=CC=CO2

InChI

InChI=1S/C12H11NO/c1-10-4-2-5-11(8-10)13-9-12-6-3-7-14-12/h2-9H,1H3

InChIKey

CWGOLYXBBBGIBC-UHFFFAOYSA-N

Compound name

1-(furan-2-yl)-N-(3-methylphenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 185.08406 Da
Monoisotopic Mass: 3.0
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]+	186.09134	138.3
[M+Na]+	208.07328	146.8
[M-H]-	184.07678	147.4
[M+NH4]+	203.11788	159.0
[M+K]+	224.04722	145.3
[M+H-H2O]+	168.08132	131.7
[M+HCOO]-	230.08226	166.3
[M+CH3COO]-	244.09791	185.0
[M+Na-2H]-	206.05873	146.0
[M]+	185.08351	140.3
[M]-	185.08461	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe