CID 23150738

4-{[(tert-butoxy)carbonyl]amino}bicyclo[2.2.2]octane-1-carboxylic acid

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

195
Patents

269.16272 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.169996 167.1
[M+Na]+ 292.151938 169.4
[M-H]- 268.155444 161.5
[M+NH4]+ 287.196543 190.4
[M+K]+ 308.125878 168.3
[M+H-H2O]+ 252.159980 163.8
[M+HCOO]- 314.160921 174.1
[M+CH3COO]- 328.176571 199.8
[M+Na-2H]- 290.137386 177.7
[M]+ 269.16217142 168.5
[M]- 269.16326858 168.5
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