CID 45489881

1009075-43-7

Structural Information

Molecular Formula
C9H17FN2O2
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)F)N
InChI
InChI=1S/C9H17FN2O2/c1-9(2,3)14-8(13)12-4-6(10)7(11)5-12/h6-7H,4-5,11H2,1-3H3/t6-,7-/m0/s1
InChIKey
DXQXHFOCKKIWJL-BQBZGAKWSA-N
Compound name
tert-butyl (3S,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

529
Patents

204.12741 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13469 146.1
[M+Na]+ 227.11663 152.9
[M-H]- 203.12013 146.6
[M+NH4]+ 222.16123 165.5
[M+K]+ 243.09057 152.1
[M+H-H2O]+ 187.12467 139.7
[M+HCOO]- 249.12561 164.6
[M+CH3COO]- 263.14126 186.3
[M+Na-2H]- 225.10208 147.0
[M]+ 204.12686 142.9
[M]- 204.12796 142.9
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