CID 23150738

863304-76-1

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)NC12CCC(CC1)(CC2)C(=O)O
InChI
InChI=1S/C14H23NO4/c1-12(2,3)19-11(18)15-14-7-4-13(5-8-14,6-9-14)10(16)17/h4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
PIRWVWMHESZXMT-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.2]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

269.16272 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 160.6
[M+Na]+ 292.15194 165.6
[M+NH4]+ 287.19654 170.9
[M+K]+ 308.12588 158.4
[M-H]- 268.15544 155.9
[M+Na-2H]- 290.13739 158.8
[M]+ 269.16217 159.9
[M]- 269.16327 159.9
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

patents stripe