CID 21789884

2(3h)-furanone, 4,5-dihydro-4-acetyl-5-(p-methoxyphenyl)-, (e)-

Structural Information

Molecular Formula
C13H14O4
SMILES
CC(=O)[C@H]1CC(=O)O[C@@H]1C2=CC=C(C=C2)OC
InChI
InChI=1S/C13H14O4/c1-8(14)11-7-12(15)17-13(11)9-3-5-10(16-2)6-4-9/h3-6,11,13H,7H2,1-2H3/t11-,13-/m1/s1
InChIKey
JFOACNRBDGTYBU-DGCLKSJQSA-N
Compound name
(4S,5S)-4-acetyl-5-(4-methoxyphenyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0892 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09648 149.2
[M+Na]+ 257.07842 157.1
[M-H]- 233.08192 157.0
[M+NH4]+ 252.12302 167.6
[M+K]+ 273.05236 156.5
[M+H-H2O]+ 217.08646 143.4
[M+HCOO]- 279.08740 171.2
[M+CH3COO]- 293.10305 190.5
[M+Na-2H]- 255.06387 151.3
[M]+ 234.08865 151.5
[M]- 234.08975 151.5
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.