CID 11062468

3-(5-oxooxolan-2-yl)prop-2-enal

Structural Information

Molecular Formula
C7H8O3
SMILES
C1CC(=O)OC1/C=C/C=O
InChI
InChI=1S/C7H8O3/c8-5-1-2-6-3-4-7(9)10-6/h1-2,5-6H,3-4H2/b2-1+
InChIKey
MGDPEFRLGBFRFH-OWOJBTEDSA-N
Compound name
(E)-3-(5-oxooxolan-2-yl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.04735 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.054626 125.5
[M+Na]+ 163.036568 133.5
[M-H]- 139.040074 129.6
[M+NH4]+ 158.081173 147.6
[M+K]+ 179.010508 133.3
[M+H-H2O]+ 123.044610 121.0
[M+HCOO]- 185.045551 148.9
[M+CH3COO]- 199.061201 169.9
[M+Na-2H]- 161.022016 131.1
[M]+ 140.04680142 125.7
[M]- 140.04789858 125.7
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.