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]+ 295.146376 162.0
[M+Na]+ 317.128318 168.7
[M-H]- 293.131824 163.1
[M+NH4]+ 312.172923 180.6
[M+K]+ 333.102258 169.8
[M+H-H2O]+ 277.136360 155.6
[M+HCOO]- 339.137301 179.4
[M+CH3COO]- 353.152951 205.3
[M+Na-2H]- 315.113766 162.4
[M]+ 294.13855142 163.0
[M]- 294.13964858 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