CID 132327819

2126159-47-3

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

CCOC(=O)C12CCC=C1OCC2

InChI

InChI=1S/C10H14O3/c1-2-12-9(11)10-5-3-4-8(10)13-7-6-10/h4H,2-3,5-7H2,1H3

InChIKey

DOQVGSKVSYVGNY-UHFFFAOYSA-N

Compound name

ethyl 2,3,4,5-tetrahydrocyclopenta[b]furan-3a-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.0943 Da
Monoisotopic Mass: 1.3
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]+	183.101576	140.2
[M+Na]+	205.083518	147.3
[M-H]-	181.087024	145.1
[M+NH4]+	200.128123	165.1
[M+K]+	221.057458	147.5
[M+H-H2O]+	165.091560	136.4
[M+HCOO]-	227.092501	161.8
[M+CH3COO]-	241.108151	177.8
[M+Na-2H]-	203.068966	145.0
[M]+	182.09375142	141.6
[M]-	182.09484858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.