CID 105488111

Tert-butyl 8-fluoro-3,6-diazabicyclo[3.2.1]octane-6-carboxylate hydrochloride

Structural Information

Molecular Formula
C11H19FN2O2
SMILES
CC(C)(C)OC(=O)N1CC2CNCC1C2F
InChI
InChI=1S/C11H19FN2O2/c1-11(2,3)16-10(15)14-6-7-4-13-5-8(14)9(7)12/h7-9,13H,4-6H2,1-3H3
InChIKey
SNCHYAABOFEVBM-UHFFFAOYSA-N
Compound name
tert-butyl 8-fluoro-3,6-diazabicyclo[3.2.1]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.14305 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.15033 155.7
[M+Na]+ 253.13227 161.8
[M-H]- 229.13577 152.7
[M+NH4]+ 248.17687 174.1
[M+K]+ 269.10621 159.5
[M+H-H2O]+ 213.14031 149.2
[M+HCOO]- 275.14125 166.9
[M+CH3COO]- 289.15690 187.6
[M+Na-2H]- 251.11772 157.5
[M]+ 230.14250 151.7
[M]- 230.14360 151.7
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.