CID 3016533

3-ethyldihydro-3-methylfuran-2,5-dione

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

CCC1(CC(=O)OC1=O)C

InChI

InChI=1S/C7H10O3/c1-3-7(2)4-5(8)10-6(7)9/h3-4H2,1-2H3

InChIKey

HRMQFEOLGGKZLJ-UHFFFAOYSA-N

Compound name

3-ethyl-3-methyloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 281
Patents: 142.06299 Da
Monoisotopic Mass: 0.8
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]+	143.07027	123.5
[M+Na]+	165.05221	133.0
[M-H]-	141.05571	128.4
[M+NH4]+	160.09681	148.0
[M+K]+	181.02615	133.6
[M+H-H2O]+	125.06025	120.4
[M+HCOO]-	187.06119	146.8
[M+CH3COO]-	201.07684	172.2
[M+Na-2H]-	163.03766	130.0
[M]+	142.06244	125.2
[M]-	142.06354	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe