CID 6210220

2-methyl-3-(2-furyl)propenal

Structural Information

Molecular Formula
C8H8O2
SMILES
C/C(=C\C1=CC=CO1)/C=O
InChI
InChI=1S/C8H8O2/c1-7(6-9)5-8-3-2-4-10-8/h2-6H,1H3/b7-5+
InChIKey
ZNBXZUKDRRRQJK-FNORWQNLSA-N
Compound name
(E)-3-(furan-2-yl)-2-methylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

455
Patents

136.05243 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.05971 127.3
[M+Na]+ 159.04165 138.7
[M+NH4]+ 154.08625 135.5
[M+K]+ 175.01559 135.0
[M-H]- 135.04515 129.4
[M+Na-2H]- 157.02710 132.4
[M]+ 136.05188 129.3
[M]- 136.05298 129.3
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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