CID 125511696

2059912-72-8

Structural Information

Molecular Formula
C8H12O5
SMILES
C[C@@H]1C[C@@H](O[C@H]1C(=O)OC)C(=O)O
InChI
InChI=1S/C8H12O5/c1-4-3-5(7(9)10)13-6(4)8(11)12-2/h4-6H,3H2,1-2H3,(H,9,10)/t4-,5-,6-/m1/s1
InChIKey
CPLXCIXREPKZSZ-HSUXUTPPSA-N
Compound name
(2R,4R,5R)-5-methoxycarbonyl-4-methyloxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 138.9
[M+Na]+ 211.05769 146.8
[M+NH4]+ 206.10229 144.7
[M+K]+ 227.03163 146.8
[M-H]- 187.06119 138.4
[M+Na-2H]- 209.04314 139.4
[M]+ 188.06792 139.3
[M]- 188.06902 139.3
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

No patent data available for this compound.