CID 138987891

Rac-tert-butyl n-[(1r,2r,4r)-5-oxobicyclo[2.2.1]heptan-2-yl]carbamate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1CC2=O
InChI
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-9-5-8-4-7(9)6-10(8)14/h7-9H,4-6H2,1-3H3,(H,13,15)/t7-,8-,9-/m1/s1
InChIKey
GOMKFUNPSCZRAT-IWSPIJDZSA-N
Compound name
tert-butyl N-[(1R,2R,4R)-5-oxo-2-bicyclo[2.2.1]heptanyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 154.0
[M+Na]+ 248.12571 160.2
[M-H]- 224.12921 156.8
[M+NH4]+ 243.17031 177.4
[M+K]+ 264.09965 159.0
[M+H-H2O]+ 208.13375 150.4
[M+HCOO]- 270.13469 173.7
[M+CH3COO]- 284.15034 191.2
[M+Na-2H]- 246.11116 156.2
[M]+ 225.13594 154.5
[M]- 225.13704 154.5
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.