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

519
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 146.7
[M+Na]+ 227.11663 153.2
[M+NH4]+ 222.16123 152.3
[M+K]+ 243.09057 152.1
[M-H]- 203.12013 144.3
[M+Na-2H]- 225.10208 147.7
[M]+ 204.12686 146.4
[M]- 204.12796 146.4
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