CID 3161034

842974-74-7

Structural Information

Molecular Formula

C₁₁H₁₁NO₄

SMILES

CC1=C(C(=NO1)C)CC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C11H11NO4/c1-6-9(7(2)16-12-6)5-8-3-4-10(15-8)11(13)14/h3-4H,5H2,1-2H3,(H,13,14)

InChIKey

MENMEWDWZRFWGN-UHFFFAOYSA-N

Compound name

5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 221.0688 Da
Monoisotopic Mass: 2.1
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]+	222.076076	144.4
[M+Na]+	244.058018	155.3
[M-H]-	220.061524	151.5
[M+NH4]+	239.102623	162.1
[M+K]+	260.031958	155.3
[M+H-H2O]+	204.066060	139.2
[M+HCOO]-	266.067001	168.1
[M+CH3COO]-	280.082651	185.1
[M+Na-2H]-	242.043466	148.0
[M]+	221.06825142	150.9
[M]-	221.06934858	150.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.