CID 103546

51806-23-6

Structural Information

Molecular Formula
C15H24O5
SMILES
CCCCCC1C(CCC1=O)C(C(=O)OC)C(=O)OC
InChI
InChI=1S/C15H24O5/c1-4-5-6-7-10-11(8-9-12(10)16)13(14(17)19-2)15(18)20-3/h10-11,13H,4-9H2,1-3H3
InChIKey
ROZSFNKSMIZYLM-UHFFFAOYSA-N
Compound name
dimethyl 2-(3-oxo-2-pentylcyclopentyl)propanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

284.16238 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.16966 168.2
[M+Na]+ 307.15160 174.4
[M+NH4]+ 302.19620 172.8
[M+K]+ 323.12554 172.9
[M-H]- 283.15510 166.0
[M+Na-2H]- 305.13705 167.5
[M]+ 284.16183 167.8
[M]- 284.16293 167.8
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