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 160.1
[M+Na]+ 236.12571 165.0
[M-H]- 212.12921 158.7
[M+NH4]+ 231.17031 177.9
[M+K]+ 252.09965 167.1
[M+H-H2O]+ 196.13375 153.2
[M+HCOO]- 258.13469 173.0
[M+CH3COO]- 272.15034 190.7
[M+Na-2H]- 234.11116 163.7
[M]+ 213.13594 174.1
[M]- 213.13704 174.1
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.