CID 138040170

2243516-55-2

Structural Information

Molecular Formula
C14H23NO5
SMILES
CC(C)(C)OC(=O)NCC12CCC(CC1)(CO2)C(=O)O
InChI
InChI=1S/C14H23NO5/c1-12(2,3)20-11(18)15-8-14-6-4-13(5-7-14,9-19-14)10(16)17/h4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
USPLPVGPSAIOPB-UHFFFAOYSA-N
Compound name
1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxabicyclo[2.2.2]octane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.15762 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16490 163.6
[M+Na]+ 308.14684 168.5
[M+NH4]+ 303.19144 173.2
[M+K]+ 324.12078 162.0
[M-H]- 284.15034 159.7
[M+Na-2H]- 306.13229 160.9
[M]+ 285.15707 163.1
[M]- 285.15817 163.1
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.