CID 9102288

1052546-53-8

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

CC1=C(C=C(O1)CNC)C(=O)OC

InChI

InChI=1S/C9H13NO3/c1-6-8(9(11)12-3)4-7(13-6)5-10-2/h4,10H,5H2,1-3H3

InChIKey

LOZWOMFAHQNHAN-UHFFFAOYSA-N

Compound name

methyl 2-methyl-5-(methylaminomethyl)furan-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 183.08954 Da
Monoisotopic Mass: 0.6
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]+	184.09682	138.7
[M+Na]+	206.07876	147.0
[M-H]-	182.08226	143.5
[M+NH4]+	201.12336	159.2
[M+K]+	222.05270	147.4
[M+H-H2O]+	166.08680	133.3
[M+HCOO]-	228.08774	163.9
[M+CH3COO]-	242.10339	183.9
[M+Na-2H]-	204.06421	143.3
[M]+	183.08899	142.8
[M]-	183.09009	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe