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]+ 215.091396 145.5
[M+Na]+ 237.073338 149.9
[M-H]- 213.076844 141.4
[M+NH4]+ 232.117943 169.9
[M+K]+ 253.047278 150.4
[M+H-H2O]+ 197.081380 141.6
[M+HCOO]- 259.082321 153.8
[M+CH3COO]- 273.097971 186.4
[M+Na-2H]- 235.058786 157.6
[M]+ 214.08357142 148.9
[M]- 214.08466858 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.