CID 535169

Lepalone

Structural Information

Molecular Formula
C10H12O2
SMILES
CC(=C)C(=O)CCC1=COC=C1
InChI
InChI=1S/C10H12O2/c1-8(2)10(11)4-3-9-5-6-12-7-9/h5-7H,1,3-4H2,2H3
InChIKey
XUCQQLCBOJJVRF-UHFFFAOYSA-N
Compound name
5-(furan-3-yl)-2-methylpent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

125
Patents

164.08372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 136.1
[M+Na]+ 187.07294 143.1
[M-H]- 163.07644 140.2
[M+NH4]+ 182.11754 157.0
[M+K]+ 203.04688 142.8
[M+H-H2O]+ 147.08098 130.9
[M+HCOO]- 209.08192 159.0
[M+CH3COO]- 223.09757 178.3
[M+Na-2H]- 185.05839 140.0
[M]+ 164.08317 137.9
[M]- 164.08427 137.9
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.