CID 22831882

887411-85-0

Structural Information

Molecular Formula
C9H14O4
SMILES
CCOC(=O)CC(=O)C1CCCO1
InChI
InChI=1S/C9H14O4/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h8H,2-6H2,1H3
InChIKey
DVSIOGDCWXTPTK-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-3-(oxolan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

186.0892 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09648 141.0
[M+Na]+ 209.07842 146.2
[M-H]- 185.08192 144.4
[M+NH4]+ 204.12302 160.7
[M+K]+ 225.05236 147.5
[M+H-H2O]+ 169.08646 135.6
[M+HCOO]- 231.08740 161.7
[M+CH3COO]- 245.10305 179.5
[M+Na-2H]- 207.06387 143.5
[M]+ 186.08865 142.3
[M]- 186.08975 142.3
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