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 168.0
[M+Na]+ 308.14684 170.3
[M-H]- 284.15034 163.0
[M+NH4]+ 303.19144 189.4
[M+K]+ 324.12078 170.9
[M+H-H2O]+ 268.15488 164.4
[M+HCOO]- 330.15582 174.3
[M+CH3COO]- 344.17147 202.1
[M+Na-2H]- 306.13229 179.9
[M]+ 285.15707 171.6
[M]- 285.15817 171.6
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.