CID 69417501

4-(ethoxycarbonyl)oxane-4-carboxylic acid

Structural Information

Molecular Formula
C9H14O5
SMILES
CCOC(=O)C1(CCOCC1)C(=O)O
InChI
InChI=1S/C9H14O5/c1-2-14-8(12)9(7(10)11)3-5-13-6-4-9/h2-6H2,1H3,(H,10,11)
InChIKey
PXGIBQXQMRNWEG-UHFFFAOYSA-N
Compound name
4-ethoxycarbonyloxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

202.08412 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.09140 142.3
[M+Na]+ 225.07334 147.1
[M-H]- 201.07684 144.5
[M+NH4]+ 220.11794 160.8
[M+K]+ 241.04728 148.6
[M+H-H2O]+ 185.08138 137.6
[M+HCOO]- 247.08232 159.6
[M+CH3COO]- 261.09797 179.1
[M+Na-2H]- 223.05879 147.1
[M]+ 202.08357 141.6
[M]- 202.08467 141.6
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