CID 555644

2-(2-furanyl)-3-methyl-2-butenal

Structural Information

Molecular Formula
C9H10O2
SMILES
CC(=C(C=O)C1=CC=CO1)C
InChI
InChI=1S/C9H10O2/c1-7(2)8(6-10)9-4-3-5-11-9/h3-6H,1-2H3
InChIKey
JWRBBXQUYVJOLN-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-3-methylbut-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

150.06808 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 132.0
[M+Na]+ 173.05730 142.8
[M+NH4]+ 168.10190 139.9
[M+K]+ 189.03124 139.7
[M-H]- 149.06080 133.8
[M+Na-2H]- 171.04275 136.4
[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.

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Patent stripe

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