CID 556910

1803102-41-1

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

C1=COC(=C1)CN=CC2=CC=CO2

InChI

InChI=1S/C10H9NO2/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-7H,8H2

InChIKey

GRJDUZLBOIHZAV-UHFFFAOYSA-N

Compound name

1-(furan-2-yl)-N-(furan-2-ylmethyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 175.06332 Da
Monoisotopic Mass: 1.7
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]+	176.070596	133.6
[M+Na]+	198.052538	142.8
[M-H]-	174.056044	143.6
[M+NH4]+	193.097143	154.9
[M+K]+	214.026478	143.4
[M+H-H2O]+	158.060580	128.0
[M+HCOO]-	220.061521	163.5
[M+CH3COO]-	234.077171	180.2
[M+Na-2H]-	196.037986	142.3
[M]+	175.06277142	138.8
[M]-	175.06386858	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe