CID 15548830

3-(prop-2-en-1-yl)oxane-2,6-dione

Structural Information

Molecular Formula
C8H10O3
SMILES
C=CCC1CCC(=O)OC1=O
InChI
InChI=1S/C8H10O3/c1-2-3-6-4-5-7(9)11-8(6)10/h2,6H,1,3-5H2
InChIKey
UYZWDHJGBAXISL-UHFFFAOYSA-N
Compound name
3-prop-2-enyloxane-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

154.06299 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.070266 128.3
[M+Na]+ 177.052208 135.9
[M-H]- 153.055714 132.5
[M+NH4]+ 172.096813 148.3
[M+K]+ 193.026148 135.6
[M+H-H2O]+ 137.060250 123.4
[M+HCOO]- 199.061191 149.3
[M+CH3COO]- 213.076841 175.1
[M+Na-2H]- 175.037656 134.1
[M]+ 154.06244142 127.3
[M]- 154.06353858 127.3
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.