CID 155820094

2086272-41-3

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CO
InChI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-5-7-4-9(12)8(7)6-13/h7-9,13H,4-6H2,1-3H3/t7-,8+,9-/m0/s1
InChIKey
TZADKBOMRWEHDD-YIZRAAEISA-N
Compound name
tert-butyl (1S,4R,5R)-5-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.13649 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 145.1
[M+Na]+ 236.12571 146.9
[M+NH4]+ 231.17031 148.8
[M+K]+ 252.09965 149.3
[M-H]- 212.12921 137.8
[M+Na-2H]- 234.11116 138.9
[M]+ 213.13594 141.7
[M]- 213.13704 141.7
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.