CID 88005365

Tert-butyl (2s)-4,4-difluoro-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H20F2N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C[C@H]1C(=O)N(C)OC)(F)F
InChI
InChI=1S/C12H20F2N2O4/c1-11(2,3)20-10(18)16-7-12(13,14)6-8(16)9(17)15(4)19-5/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKey
GVGFWRHJXMXSSY-QMMMGPOBSA-N
Compound name
tert-butyl (2S)-4,4-difluoro-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

294.1391 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14638 162.0
[M+Na]+ 317.12832 168.7
[M-H]- 293.13182 163.1
[M+NH4]+ 312.17292 180.6
[M+K]+ 333.10226 169.8
[M+H-H2O]+ 277.13636 155.6
[M+HCOO]- 339.13730 179.4
[M+CH3COO]- 353.15295 205.3
[M+Na-2H]- 315.11377 162.4
[M]+ 294.13855 163.0
[M]- 294.13965 163.0
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