CID 11355614

Methyl 2-(3-oxocyclopentyl)acetate

Structural Information

Molecular Formula
C8H12O3
SMILES
COC(=O)CC1CCC(=O)C1
InChI
InChI=1S/C8H12O3/c1-11-8(10)5-6-2-3-7(9)4-6/h6H,2-5H2,1H3
InChIKey
CPXMFVOUUXTIOH-UHFFFAOYSA-N
Compound name
methyl 2-(3-oxocyclopentyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

156.07864 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 132.4
[M+Na]+ 179.067858 139.3
[M-H]- 155.071364 135.8
[M+NH4]+ 174.112463 155.1
[M+K]+ 195.041798 139.1
[M+H-H2O]+ 139.075900 127.5
[M+HCOO]- 201.076841 155.2
[M+CH3COO]- 215.092491 174.7
[M+Na-2H]- 177.053306 135.1
[M]+ 156.07809142 132.3
[M]- 156.07918858 132.3
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

patents stripe