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

20
Patents

202.08412 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.091396 142.3
[M+Na]+ 225.073338 147.1
[M-H]- 201.076844 144.5
[M+NH4]+ 220.117943 160.8
[M+K]+ 241.047278 148.6
[M+H-H2O]+ 185.081380 137.6
[M+HCOO]- 247.082321 159.6
[M+CH3COO]- 261.097971 179.1
[M+Na-2H]- 223.058786 147.1
[M]+ 202.08357142 141.6
[M]- 202.08466858 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