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
2
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]+ 141.090996 127.1
[M+Na]+ 163.072938 136.0
[M-H]- 139.076444 131.2
[M+NH4]+ 158.117543 151.1
[M+K]+ 179.046878 135.2
[M+H-H2O]+ 123.080980 122.6
[M+HCOO]- 185.081921 152.0
[M+CH3COO]- 199.097571 174.2
[M+Na-2H]- 161.058386 131.4
[M]+ 140.08317142 128.9
[M]- 140.08426858 128.9
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.