CID 122714131

3-ethoxycarbonylpentanedioic acid

Structural Information

Molecular Formula
C8H12O6
SMILES
CCOC(=O)C(CC(=O)O)CC(=O)O
InChI
InChI=1S/C8H12O6/c1-2-14-8(13)5(3-6(9)10)4-7(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKey
LSGVTQNLNBOTEX-UHFFFAOYSA-N
Compound name
3-ethoxycarbonylpentanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

204.06339 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07067 143.4
[M+Na]+ 227.05261 149.4
[M+NH4]+ 222.09721 146.9
[M+K]+ 243.02655 148.8
[M-H]- 203.05611 138.0
[M+Na-2H]- 225.03806 142.2
[M]+ 204.06284 142.0
[M]- 204.06394 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.