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]+ 141.05463 125.5
[M+Na]+ 163.03657 133.5
[M-H]- 139.04007 129.6
[M+NH4]+ 158.08117 147.6
[M+K]+ 179.01051 133.3
[M+H-H2O]+ 123.04461 121.0
[M+HCOO]- 185.04555 148.9
[M+CH3COO]- 199.06120 169.9
[M+Na-2H]- 161.02202 131.1
[M]+ 140.04680 125.7
[M]- 140.04790 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.