CID 6435826

2-ethyl-3-(2-furyl)acrylaldehyde

Structural Information

Molecular Formula
C9H10O2
SMILES
CC/C(=C\C1=CC=CO1)/C=O
InChI
InChI=1S/C9H10O2/c1-2-8(7-10)6-9-4-3-5-11-9/h3-7H,2H2,1H3/b8-6+
InChIKey
UCPFCQBLYDXPTR-SOFGYWHQSA-N
Compound name
(2E)-2-(furan-2-ylmethylidene)butanal
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

207
Patents

150.06808 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 131.8
[M+Na]+ 173.05730 143.0
[M+NH4]+ 168.10190 139.8
[M+K]+ 189.03124 139.1
[M-H]- 149.06080 133.9
[M+Na-2H]- 171.04275 136.7
[M]+ 150.06753 133.8
[M]- 150.06863 133.8
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

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