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 141.7
[M+Na]+ 221.07842 148.9
[M-H]- 197.08192 145.7
[M+NH4]+ 216.12302 161.5
[M+K]+ 237.05236 148.8
[M+H-H2O]+ 181.08646 136.8
[M+HCOO]- 243.08740 163.2
[M+CH3COO]- 257.10305 183.9
[M+Na-2H]- 219.06387 143.9
[M]+ 198.08865 144.2
[M]- 198.08975 144.2
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.