CID 23260938

5-ethoxyfuran-2-carbaldehyde

Structural Information

Molecular Formula
C7H8O3
SMILES
CCOC1=CC=C(O1)C=O
InChI
InChI=1S/C7H8O3/c1-2-9-7-4-3-6(5-8)10-7/h3-5H,2H2,1H3
InChIKey
NCTBTMFBOIURJB-UHFFFAOYSA-N
Compound name
5-ethoxyfuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

140.04735 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.054626 124.0
[M+Na]+ 163.036568 133.4
[M-H]- 139.040074 128.7
[M+NH4]+ 158.081173 146.3
[M+K]+ 179.010508 134.0
[M+H-H2O]+ 123.044610 119.2
[M+HCOO]- 185.045551 149.9
[M+CH3COO]- 199.061201 171.6
[M+Na-2H]- 161.022016 131.4
[M]+ 140.04680142 128.5
[M]- 140.04789858 128.5
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

patents stripe