CID 11030109

89886-73-7

Structural Information

Molecular Formula
C6H8O5
SMILES
CCOC(=O)[C@@H]1[C@H](O1)C(=O)O
InChI
InChI=1S/C6H8O5/c1-2-10-6(9)4-3(11-4)5(7)8/h3-4H,2H2,1H3,(H,7,8)/t3-,4-/m0/s1
InChIKey
MWMZDXCRDIBPCO-IMJSIDKUSA-N
Compound name
(2S,3S)-3-ethoxycarbonyloxirane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

160.03717 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04445 132.7
[M+Na]+ 183.02639 143.2
[M+NH4]+ 178.07099 139.2
[M+K]+ 199.00033 142.5
[M-H]- 159.02989 139.1
[M+Na-2H]- 181.01184 137.2
[M]+ 160.03662 136.7
[M]- 160.03772 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe