CID 1549522

4-(2-furanyl)-3-buten-2-one

Structural Information

Molecular Formula
C8H8O2
SMILES
CC(=O)/C=C\C1=CC=CO1
InChI
InChI=1S/C8H8O2/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3/b5-4-
InChIKey
GBKGJMYPQZODMI-PLNGDYQASA-N
Compound name
(Z)-4-(furan-2-yl)but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

1150
Patents

136.05243 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.05971 126.2
[M+Na]+ 159.04165 134.4
[M-H]- 135.04515 130.6
[M+NH4]+ 154.08625 148.4
[M+K]+ 175.01559 134.2
[M+H-H2O]+ 119.04969 121.3
[M+HCOO]- 181.05063 150.8
[M+CH3COO]- 195.06628 170.8
[M+Na-2H]- 157.02710 132.4
[M]+ 136.05188 127.8
[M]- 136.05298 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

patents stripe