CID 91943006

362706-22-7

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

COC(=O)C=C1CCOC1

InChI

InChI=1S/C7H10O3/c1-9-7(8)4-6-2-3-10-5-6/h4H,2-3,5H2,1H3

InChIKey

MWGFZEHLGGOCCA-UHFFFAOYSA-N

Compound name

methyl 2-(oxolan-3-ylidene)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 142.06299 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]+	143.07027	128.6
[M+Na]+	165.05221	135.1
[M-H]-	141.05571	132.4
[M+NH4]+	160.09681	150.3
[M+K]+	181.02615	136.0
[M+H-H2O]+	125.06025	123.7
[M+HCOO]-	187.06119	150.7
[M+CH3COO]-	201.07684	169.8
[M+Na-2H]-	163.03766	133.4
[M]+	142.06244	128.2
[M]-	142.06354	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe