CID 5318556

Isoegomaketone

Structural Information

Molecular Formula
C10H12O2
SMILES
CC(C)/C=C/C(=O)C1=COC=C1
InChI
InChI=1S/C10H12O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h3-8H,1-2H3/b4-3+
InChIKey
XEYCZVQIOJGCNL-ONEGZZNKSA-N
Compound name
(E)-1-(furan-3-yl)-4-methylpent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

52
Patents

164.08372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 136.5
[M+Na]+ 187.07294 147.1
[M+NH4]+ 182.11754 144.2
[M+K]+ 203.04688 143.8
[M-H]- 163.07644 138.3
[M+Na-2H]- 185.05839 140.7
[M]+ 164.08317 138.3
[M]- 164.08427 138.3
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

patents stripe