CID 176109

(exo,exo)-monoethyl 7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylate

Structural Information

Molecular Formula
C10H14O5
SMILES
CCOC(=O)[C@@H]1[C@@H]2CC[C@H]([C@@H]1C(=O)O)O2
InChI
InChI=1S/C10H14O5/c1-2-14-10(13)8-6-4-3-5(15-6)7(8)9(11)12/h5-8H,2-4H2,1H3,(H,11,12)/t5-,6+,7+,8-/m1/s1
InChIKey
LVRCGKQYGUKJKS-VGRMVHKJSA-N
Compound name
(1R,2R,3S,4S)-3-ethoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.08412 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09140 145.6
[M+Na]+ 237.07334 151.9
[M+NH4]+ 232.11794 152.0
[M+K]+ 253.04728 153.3
[M-H]- 213.07684 144.1
[M+Na-2H]- 235.05879 143.3
[M]+ 214.08357 145.5
[M]- 214.08467 145.5
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.