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

49
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 136.3
[M+Na]+ 187.07294 143.4
[M-H]- 163.07644 140.5
[M+NH4]+ 182.11754 157.3
[M+K]+ 203.04688 143.1
[M+H-H2O]+ 147.08098 131.1
[M+HCOO]- 209.08192 159.2
[M+CH3COO]- 223.09757 177.7
[M+Na-2H]- 185.05839 140.2
[M]+ 164.08317 138.0
[M]- 164.08427 138.0
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.