CID 155821280

2445750-15-0

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]+ 240.15943 150.1
[M+Na]+ 262.14137 157.3
[M+NH4]+ 257.18597 158.9
[M+K]+ 278.11531 152.5
[M-H]- 238.14487 146.9
[M+Na-2H]- 260.12682 146.6
[M]+ 239.15160 149.9
[M]- 239.15270 149.9
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

No patent data available for this compound.