CID 139026347

Methyl 2-methoxy-2-(2-oxocyclopentyl)acetate

Structural Information

Molecular Formula
C9H14O4
SMILES
COC(C1CCCC1=O)C(=O)OC
InChI
InChI=1S/C9H14O4/c1-12-8(9(11)13-2)6-4-3-5-7(6)10/h6,8H,3-5H2,1-2H3
InChIKey
WBQORVIVQHYSJE-UHFFFAOYSA-N
Compound name
methyl 2-methoxy-2-(2-oxocyclopentyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0892 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 140.0
[M+Na]+ 209.078418 146.1
[M-H]- 185.081924 143.2
[M+NH4]+ 204.123023 161.3
[M+K]+ 225.052358 146.6
[M+H-H2O]+ 169.086460 134.8
[M+HCOO]- 231.087401 161.6
[M+CH3COO]- 245.103051 180.7
[M+Na-2H]- 207.063866 141.0
[M]+ 186.08865142 141.1
[M]- 186.08974858 141.1
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.