CID 273827

15433-83-7

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

CN(C)CC1=CC=C(O1)C=O

InChI

InChI=1S/C8H11NO2/c1-9(2)5-7-3-4-8(6-10)11-7/h3-4,6H,5H2,1-2H3

InChIKey

DTBBXLXFWANOCA-UHFFFAOYSA-N

Compound name

5-[(dimethylamino)methyl]furan-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 153.07898 Da
Monoisotopic Mass: 0.1
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]+	154.086256	130.7
[M+Na]+	176.068198	138.9
[M-H]-	152.071704	136.7
[M+NH4]+	171.112803	152.8
[M+K]+	192.042138	140.1
[M+H-H2O]+	136.076240	125.2
[M+HCOO]-	198.077181	157.5
[M+CH3COO]-	212.092831	180.9
[M+Na-2H]-	174.053646	137.0
[M]+	153.07843142	134.6
[M]-	153.07952858	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe