CID 18416224

4-(carboxymethyl)oxane-4-carboxylic acid

Structural Information

Molecular Formula
C8H12O5
SMILES
C1COCCC1(CC(=O)O)C(=O)O
InChI
InChI=1S/C8H12O5/c9-6(10)5-8(7(11)12)1-3-13-4-2-8/h1-5H2,(H,9,10)(H,11,12)
InChIKey
LYIVWMHCWUWESC-UHFFFAOYSA-N
Compound name
4-(carboxymethyl)oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

188.06847 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07575 139.7
[M+Na]+ 211.05769 147.4
[M+NH4]+ 206.10229 146.8
[M+K]+ 227.03163 143.5
[M-H]- 187.06119 139.3
[M+Na-2H]- 209.04314 142.7
[M]+ 188.06792 140.3
[M]- 188.06902 140.3
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