CID 146323860

2375918-49-1

Structural Information

Molecular Formula
C12H21FN2O2
SMILES
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]([C@H](C2)N)F
InChI
InChI=1S/C12H21FN2O2/c1-12(2,3)17-11(16)15-7-4-5-9(15)10(13)8(14)6-7/h7-10H,4-6,14H2,1-3H3/t7-,8+,9+,10-/m1/s1
InChIKey
WAGXKXDDIIXGOM-XFWSIPNHSA-N
Compound name
tert-butyl (1S,2R,3S,5R)-3-amino-2-fluoro-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

244.1587 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16598 158.4
[M+Na]+ 267.14792 164.6
[M-H]- 243.15142 157.8
[M+NH4]+ 262.19252 178.0
[M+K]+ 283.12186 162.6
[M+H-H2O]+ 227.15596 152.5
[M+HCOO]- 289.15690 172.5
[M+CH3COO]- 303.17255 196.0
[M+Na-2H]- 265.13337 159.2
[M]+ 244.15815 154.7
[M]- 244.15925 154.7
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

patents stripe