CID 125511696

Rac-(2r,4r,5r)-5-(methoxycarbonyl)-4-methyloxolane-2-carboxylic acid

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 137.5
[M+Na]+ 211.05769 144.5
[M-H]- 187.06119 140.5
[M+NH4]+ 206.10229 157.0
[M+K]+ 227.03163 145.7
[M+H-H2O]+ 171.06573 133.1
[M+HCOO]- 233.06667 157.2
[M+CH3COO]- 247.08232 178.6
[M+Na-2H]- 209.04314 139.1
[M]+ 188.06792 138.9
[M]- 188.06902 138.9
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.