CID 154729170

2375195-27-8

Structural Information

Molecular Formula
C10H14O5
SMILES
COC(=O)C12CCC(CC1)(OC2)C(=O)O
InChI
InChI=1S/C10H14O5/c1-14-8(13)9-2-4-10(5-3-9,7(11)12)15-6-9/h2-6H2,1H3,(H,11,12)
InChIKey
AEYAQQBSPKVXSU-UHFFFAOYSA-N
Compound name
4-methoxycarbonyl-2-oxabicyclo[2.2.2]octane-1-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 145.5
[M+Na]+ 237.07334 149.9
[M-H]- 213.07684 141.4
[M+NH4]+ 232.11794 169.9
[M+K]+ 253.04728 150.4
[M+H-H2O]+ 197.08138 141.6
[M+HCOO]- 259.08232 153.8
[M+CH3COO]- 273.09797 186.4
[M+Na-2H]- 235.05879 157.6
[M]+ 214.08357 148.9
[M]- 214.08467 148.9
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.