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 146.5
[M+Na]+ 237.07334 153.0
[M-H]- 213.07684 148.6
[M+NH4]+ 232.11794 168.2
[M+K]+ 253.04728 153.3
[M+H-H2O]+ 197.08138 143.3
[M+HCOO]- 259.08232 164.3
[M+CH3COO]- 273.09797 184.0
[M+Na-2H]- 235.05879 147.8
[M]+ 214.08357 148.6
[M]- 214.08467 148.6
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.