CID 106146

2-cyclopenten-1-one, 2-ethoxy-3-methyl-

Structural Information

Molecular Formula
C8H12O2
SMILES
CCOC1=C(CCC1=O)C
InChI
InChI=1S/C8H12O2/c1-3-10-8-6(2)4-5-7(8)9/h3-5H2,1-2H3
InChIKey
JSMWJHCOWHXYML-UHFFFAOYSA-N
Compound name
2-ethoxy-3-methylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 128.6
[M+Na]+ 163.07294 139.7
[M+NH4]+ 158.11754 137.2
[M+K]+ 179.04688 135.7
[M-H]- 139.07644 129.8
[M+Na-2H]- 161.05839 133.3
[M]+ 140.08317 130.3
[M]- 140.08427 130.3
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.