CID 155820363

Rac-(1r,5s,6r)-5-{[(tert-butoxy)carbonyl]amino}bicyclo[3.2.1]octane-6-carboxylic acid

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)N[C@]12CCC[C@H](C1)C[C@@H]2C(=O)O
InChI
InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-14-6-4-5-9(8-14)7-10(14)11(16)17/h9-10H,4-8H2,1-3H3,(H,15,18)(H,16,17)/t9-,10+,14+/m0/s1
InChIKey
CTHHAMHAHLDOEZ-IMSIIYSGSA-N
Compound name
(1S,5R,6S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.2.1]octane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16272 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 162.1
[M+Na]+ 292.15194 166.9
[M+NH4]+ 287.19654 169.6
[M+K]+ 308.12588 164.2
[M-H]- 268.15544 159.9
[M+Na-2H]- 290.13739 162.4
[M]+ 269.16217 161.7
[M]- 269.16327 161.7
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.