CID 141667232

2982738-99-6

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C)(C)OC(=O)N1[C@@H]2C[C@H]1CC(C2)O
InChI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-7-4-8(12)6-9(13)5-7/h7-9,13H,4-6H2,1-3H3/t7-,8+,9?
InChIKey
DTJRCUVAZKZMKW-JVHMLUBASA-N
Compound name
tert-butyl (1S,5R)-3-hydroxy-6-azabicyclo[3.1.1]heptane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

213.13649 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 146.6
[M+Na]+ 236.12571 150.4
[M+NH4]+ 231.17031 150.8
[M+K]+ 252.09965 148.3
[M-H]- 212.12921 139.8
[M+Na-2H]- 234.11116 141.0
[M]+ 213.13594 143.8
[M]- 213.13704 143.8
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

patents stripe