CID 89384776

Schembl14624779

Structural Information

Molecular Formula

SMILES

CNCC1=CC=C(O1)C=O

InChI

InChI=1S/C7H9NO2/c1-8-4-6-2-3-7(5-9)10-6/h2-3,5,8H,4H2,1H3

InChIKey

GMXVTUTYBBJYFB-UHFFFAOYSA-N

Compound name

5-(methylaminomethyl)furan-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 139.06332 Da
Monoisotopic Mass: -0.3
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]+	140.070596	125.8
[M+Na]+	162.052538	134.3
[M-H]-	138.056044	130.5
[M+NH4]+	157.097143	147.8
[M+K]+	178.026478	134.3
[M+H-H2O]+	122.060580	120.6
[M+HCOO]-	184.061521	152.4
[M+CH3COO]-	198.077171	174.3
[M+Na-2H]-	160.037986	133.4
[M]+	139.06277142	128.0
[M]-	139.06386858	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe