CID 12648080

5-(ethoxymethyl)furan-2-carbaldehyde

Structural Information

Molecular Formula
C8H10O3
SMILES
CCOCC1=CC=C(O1)C=O
InChI
InChI=1S/C8H10O3/c1-2-10-6-8-4-3-7(5-9)11-8/h3-5H,2,6H2,1H3
InChIKey
CCDRPZFMDMKZSZ-UHFFFAOYSA-N
Compound name
5-(ethoxymethyl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

811
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 128.8
[M+Na]+ 177.05221 137.7
[M-H]- 153.05571 133.4
[M+NH4]+ 172.09681 150.6
[M+K]+ 193.02615 138.1
[M+H-H2O]+ 137.06025 123.9
[M+HCOO]- 199.06119 154.4
[M+CH3COO]- 213.07684 174.6
[M+Na-2H]- 175.03766 135.7
[M]+ 154.06244 133.7
[M]- 154.06354 133.7
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