CID 132371499

Ethyl 3-methyl-2-methylideneoxolane-3-carboxylate

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CCOC(=O)C1(CCOC1=C)C

InChI

InChI=1S/C9H14O3/c1-4-11-8(10)9(3)5-6-12-7(9)2/h2,4-6H2,1,3H3

InChIKey

IGLHEBHOCQFYPH-UHFFFAOYSA-N

Compound name

ethyl 3-methyl-2-methylideneoxolane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.0943 Da
Monoisotopic Mass: 1.5
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]+	171.101576	134.9
[M+Na]+	193.083518	142.4
[M-H]-	169.087024	139.2
[M+NH4]+	188.128123	157.9
[M+K]+	209.057458	143.0
[M+H-H2O]+	153.091560	131.2
[M+HCOO]-	215.092501	156.5
[M+CH3COO]-	229.108151	177.3
[M+Na-2H]-	191.068966	139.5
[M]+	170.09375142	136.2
[M]-	170.09484858	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.