CID 131258126

3-(3-furanyl)-2-methyl-2-propenal

Structural Information

Molecular Formula
C8H8O2
SMILES
C/C(=C/C1=COC=C1)/C=O
InChI
InChI=1S/C8H8O2/c1-7(5-9)4-8-2-3-10-6-8/h2-6H,1H3/b7-4-
InChIKey
WHDVHEXMVPUJNI-DAXSKMNVSA-N
Compound name
(Z)-3-(furan-3-yl)-2-methylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.05243 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.059706 126.2
[M+Na]+ 159.041648 134.4
[M-H]- 135.045154 130.6
[M+NH4]+ 154.086253 148.4
[M+K]+ 175.015588 134.2
[M+H-H2O]+ 119.049690 121.3
[M+HCOO]- 181.050631 150.8
[M+CH3COO]- 195.066281 170.8
[M+Na-2H]- 157.027096 132.4
[M]+ 136.05188142 127.8
[M]- 136.05297858 127.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.