CID 6476006

(r)-3-methoxymethylene-5-((e)-styryl)-dihydro-furan-2-one

Structural Information

Molecular Formula

C₁₄H₁₄O₃

SMILES

CO/C=C/1\C[C@@H](OC1=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C14H14O3/c1-16-10-12-9-13(17-14(12)15)8-7-11-5-3-2-4-6-11/h2-8,10,13H,9H2,1H3/b8-7+,12-10+/t13-/m0/s1

InChIKey

AXWKLALWFJEXAG-UDNVANOLSA-N

Compound name

(3E,5R)-3-(methoxymethylidene)-5-[(E)-2-phenylethenyl]oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 230.0943 Da
Monoisotopic Mass: 2.5
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]+	231.101576	150.7
[M+Na]+	253.083518	158.1
[M-H]-	229.087024	157.9
[M+NH4]+	248.128123	169.2
[M+K]+	269.057458	155.5
[M+H-H2O]+	213.091560	144.5
[M+HCOO]-	275.092501	173.4
[M+CH3COO]-	289.108151	187.2
[M+Na-2H]-	251.068966	153.9
[M]+	230.09375142	151.2
[M]-	230.09484858	151.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.