CID 109828

68227-51-0

Structural Information

Molecular Formula
C10H14O3
SMILES
CCCC(=O)OC1=C(CCC1=O)C
InChI
InChI=1S/C10H14O3/c1-3-4-9(12)13-10-7(2)5-6-8(10)11/h3-6H2,1-2H3
InChIKey
SUJWBOKDKMEAOQ-UHFFFAOYSA-N
Compound name
(2-methyl-5-oxocyclopenten-1-yl) butanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

26
Patents

182.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 140.3
[M+Na]+ 205.08352 150.2
[M+NH4]+ 200.12812 147.6
[M+K]+ 221.05746 146.9
[M-H]- 181.08702 140.4
[M+Na-2H]- 203.06897 143.5
[M]+ 182.09375 141.4
[M]- 182.09485 141.4
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