CID 137942966

Rac-tert-butyl (1r,5r,6s)-6-amino-3-azabicyclo[3.2.1]octane-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](C2)N
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-8-4-9(7-14)10(13)5-8/h8-10H,4-7,13H2,1-3H3/t8-,9-,10+/m0/s1
InChIKey
HKXKHIMUJVZCCB-LPEHRKFASA-N
Compound name
tert-butyl (1S,5S,6R)-6-amino-3-azabicyclo[3.2.1]octane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 155.7
[M+Na]+ 249.15734 160.9
[M-H]- 225.16084 156.2
[M+NH4]+ 244.20194 175.9
[M+K]+ 265.13128 159.4
[M+H-H2O]+ 209.16538 150.5
[M+HCOO]- 271.16632 171.0
[M+CH3COO]- 285.18197 192.1
[M+Na-2H]- 247.14279 157.8
[M]+ 226.16757 152.8
[M]- 226.16867 152.8
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

No patent data available for this compound.