CID 57878698

891944-83-5

Structural Information

Molecular Formula
C11H20F2N2O2
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C1)NCC(F)F
InChI
InChI=1S/C11H20F2N2O2/c1-11(2,3)17-10(16)15-5-4-8(7-15)14-6-9(12)13/h8-9,14H,4-7H2,1-3H3/t8-/m0/s1
InChIKey
ADXDFRBOHXGSIA-QMMMGPOBSA-N
Compound name
tert-butyl (3S)-3-(2,2-difluoroethylamino)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

250.14928 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15656 157.8
[M+Na]+ 273.13850 162.6
[M-H]- 249.14200 156.8
[M+NH4]+ 268.18310 175.2
[M+K]+ 289.11244 161.8
[M+H-H2O]+ 233.14654 149.8
[M+HCOO]- 295.14748 174.2
[M+CH3COO]- 309.16313 195.4
[M+Na-2H]- 271.12395 157.6
[M]+ 250.14873 154.2
[M]- 250.14983 154.2
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