CID 155821280

2740340-67-2

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C(=O)C2
InChI
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-10-6-8-4-5-9(10)11(15)7-8/h8-10H,4-7H2,1-3H3,(H,14,16)/t8-,9+,10-/m1/s1
InChIKey
HYHUVPOHLRRJPS-KXUCPTDWSA-N
Compound name
tert-butyl N-[(1S,2R,4R)-6-oxo-2-bicyclo[2.2.2]octanyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.159426 157.1
[M+Na]+ 262.141368 160.1
[M-H]- 238.144874 153.4
[M+NH4]+ 257.185973 179.1
[M+K]+ 278.115308 159.0
[M+H-H2O]+ 222.149410 153.3
[M+HCOO]- 284.150351 167.0
[M+CH3COO]- 298.166001 199.4
[M+Na-2H]- 260.126816 166.2
[M]+ 239.15160142 159.0
[M]- 239.15269858 159.0
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.