CID 12653568

(e)-3-(6-oxooxan-2-yl)prop-2-enal

Structural Information

Molecular Formula
C8H10O3
SMILES
C1CC(OC(=O)C1)/C=C/C=O
InChI
InChI=1S/C8H10O3/c9-6-2-4-7-3-1-5-8(10)11-7/h2,4,6-7H,1,3,5H2/b4-2+
InChIKey
RCJOKQHNYYSHIB-DUXPYHPUSA-N
Compound name
(E)-3-(6-oxooxan-2-yl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.06299 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 129.4
[M+Na]+ 177.05221 136.0
[M-H]- 153.05571 133.2
[M+NH4]+ 172.09681 149.0
[M+K]+ 193.02615 135.7
[M+H-H2O]+ 137.06025 124.1
[M+HCOO]- 199.06119 150.3
[M+CH3COO]- 213.07684 173.3
[M+Na-2H]- 175.03766 135.7
[M]+ 154.06244 127.8
[M]- 154.06354 127.8
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.