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]+ 240.15943 157.1
[M+Na]+ 262.14137 160.1
[M-H]- 238.14487 153.4
[M+NH4]+ 257.18597 179.1
[M+K]+ 278.11531 159.0
[M+H-H2O]+ 222.14941 153.3
[M+HCOO]- 284.15035 167.0
[M+CH3COO]- 298.16600 199.4
[M+Na-2H]- 260.12682 166.2
[M]+ 239.15160 159.0
[M]- 239.15270 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.