CID 65427

5-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one

Structural Information

Molecular Formula
C8H12O2
SMILES
CCC1CC(=C(C1=O)O)C
InChI
InChI=1S/C8H12O2/c1-3-6-4-5(2)7(9)8(6)10/h6,9H,3-4H2,1-2H3
InChIKey
ARHWUYVUNJLMRR-UHFFFAOYSA-N
Compound name
5-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

75
Patents

140.08372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 128.6
[M+Na]+ 163.07294 139.5
[M+NH4]+ 158.11754 136.8
[M+K]+ 179.04688 136.0
[M-H]- 139.07644 129.3
[M+Na-2H]- 161.05839 132.5
[M]+ 140.08317 130.1
[M]- 140.08427 130.1
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