CID 806438

1185300-64-4

Structural Information

Molecular Formula

C₈H₁₁NO₃

SMILES

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

InChI

InChI=1S/C8H11NO3/c1-9(2)5-6-3-4-7(12-6)8(10)11/h3-4H,5H2,1-2H3,(H,10,11)

InChIKey

LLPIDIFMBNAYOD-UHFFFAOYSA-N

Compound name

5-[(dimethylamino)methyl]furan-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 66
Patents: 169.0739 Da
Monoisotopic Mass: -1.6
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]+	170.08118	135.2
[M+Na]+	192.06312	144.7
[M+NH4]+	187.10772	142.4
[M+K]+	208.03706	143.1
[M-H]-	168.06662	137.0
[M+Na-2H]-	190.04857	139.0
[M]+	169.07335	136.7
[M]-	169.07445	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe