CID 134816610

(3e,4s)-3-ethylidene-2-oxo-tetrahydropyran-4-carbaldehyde

Structural Information

Molecular Formula
C8H10O3
SMILES
C/C=C/1\[C@H](CCOC1=O)C=O
InChI
InChI=1S/C8H10O3/c1-2-7-6(5-9)3-4-11-8(7)10/h2,5-6H,3-4H2,1H3/b7-2+/t6-/m1/s1
InChIKey
WDIZMHCUHCDOIN-XUDNXDRUSA-N
Compound name
(3E,4S)-3-ethylidene-2-oxooxane-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

154.06299 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 128.5
[M+Na]+ 177.05221 136.2
[M-H]- 153.05571 132.8
[M+NH4]+ 172.09681 148.6
[M+K]+ 193.02615 135.9
[M+H-H2O]+ 137.06025 123.6
[M+HCOO]- 199.06119 149.5
[M+CH3COO]- 213.07684 174.5
[M+Na-2H]- 175.03766 134.3
[M]+ 154.06244 127.4
[M]- 154.06354 127.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.