CID 75357265

3-[(tert-butoxy)carbonyl]-9-oxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid

Structural Information

Molecular Formula
C14H21NO5
SMILES
CC(C)(C)OC(=O)N1CC2CC(CC(C1)C2=O)C(=O)O
InChI
InChI=1S/C14H21NO5/c1-14(2,3)20-13(19)15-6-9-4-8(12(17)18)5-10(7-15)11(9)16/h8-10H,4-7H2,1-3H3,(H,17,18)
InChIKey
HSEIFGFVCUJCPO-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.14197 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14925 163.2
[M+Na]+ 306.13119 170.4
[M+NH4]+ 301.17579 168.3
[M+K]+ 322.10513 168.1
[M-H]- 282.13469 160.1
[M+Na-2H]- 304.11664 161.7
[M]+ 283.14142 162.8
[M]- 283.14252 162.8
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.