CID 12046220

Tert-butyl (1r,5s)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CNC2
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-8-4-5-9(13)7-12-6-8/h8-9,12H,4-7H2,1-3H3/t8-,9+
InChIKey
HNINFCBLGHCFOJ-DTORHVGOSA-N
Compound name
tert-butyl (1S,5R)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2328
Patents

212.15248 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 153.1
[M+Na]+ 235.14170 158.3
[M-H]- 211.14520 151.2
[M+NH4]+ 230.18630 172.1
[M+K]+ 251.11564 156.5
[M+H-H2O]+ 195.14974 147.3
[M+HCOO]- 257.15068 165.5
[M+CH3COO]- 271.16633 183.7
[M+Na-2H]- 233.12715 156.3
[M]+ 212.15193 149.9
[M]- 212.15303 149.9
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