CID 146081949

Tert-butyl 4-hydroxy-2-azabicyclo[2.1.1]hexane-2-carboxylate

Structural Information

Molecular Formula
C10H17NO3
SMILES
CC(C)(C)OC(=O)N1CC2(CC1C2)O
InChI
InChI=1S/C10H17NO3/c1-9(2,3)14-8(12)11-6-10(13)4-7(11)5-10/h7,13H,4-6H2,1-3H3
InChIKey
KVFANELNJJUTQG-UHFFFAOYSA-N
Compound name
tert-butyl 4-hydroxy-2-azabicyclo[2.1.1]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 156.9
[M+Na]+ 222.11007 162.5
[M-H]- 198.11357 155.7
[M+NH4]+ 217.15467 177.0
[M+K]+ 238.08401 164.4
[M+H-H2O]+ 182.11811 150.8
[M+HCOO]- 244.11905 170.1
[M+CH3COO]- 258.13470 186.2
[M+Na-2H]- 220.09552 162.7
[M]+ 199.12030 170.5
[M]- 199.12140 170.5
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.