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

9
Patents

230.0943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.10158 150.7
[M+Na]+ 253.08352 158.1
[M-H]- 229.08702 157.9
[M+NH4]+ 248.12812 169.2
[M+K]+ 269.05746 155.5
[M+H-H2O]+ 213.09156 144.5
[M+HCOO]- 275.09250 173.4
[M+CH3COO]- 289.10815 187.2
[M+Na-2H]- 251.06897 153.9
[M]+ 230.09375 151.2
[M]- 230.09485 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.