CID 3085788

3-acetyldihydro-5-((2-propenyloxy)methyl)-2(3h)-furanone

Structural Information

Molecular Formula
C10H14O4
SMILES
CC(=O)[C@@H]1C[C@H](OC1=O)COCC=C
InChI
InChI=1S/C10H14O4/c1-3-4-13-6-8-5-9(7(2)11)10(12)14-8/h3,8-9H,1,4-6H2,2H3/t8-,9-/m0/s1
InChIKey
LDUCJUWVVJOBAY-IUCAKERBSA-N
Compound name
(3S,5S)-3-acetyl-5-(prop-2-enoxymethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0892 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09648 143.6
[M+Na]+ 221.07842 152.5
[M+NH4]+ 216.12302 149.8
[M+K]+ 237.05236 150.2
[M-H]- 197.08192 144.0
[M+Na-2H]- 219.06387 144.9
[M]+ 198.08865 144.5
[M]- 198.08975 144.5
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.