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]+ 215.091396 146.5
[M+Na]+ 237.073338 153.0
[M-H]- 213.076844 148.6
[M+NH4]+ 232.117943 168.2
[M+K]+ 253.047278 153.3
[M+H-H2O]+ 197.081380 143.3
[M+HCOO]- 259.082321 164.3
[M+CH3COO]- 273.097971 184.0
[M+Na-2H]- 235.058786 147.8
[M]+ 214.08357142 148.6
[M]- 214.08466858 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.