CID 11806976

203866-18-6

Structural Information

Molecular Formula
C11H18FNO4
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)OC)F
InChI
InChI=1S/C11H18FNO4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1
InChIKey
METPQQHVRNLTRX-SFYZADRCSA-N
Compound name
1-O-tert-butyl 2-O-methyl (2S,4R)-4-fluoropyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

242
Patents

247.12198 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12926 157.3
[M+Na]+ 270.11120 163.7
[M+NH4]+ 265.15580 161.7
[M+K]+ 286.08514 163.2
[M-H]- 246.11470 153.3
[M+Na-2H]- 268.09665 157.2
[M]+ 247.12143 156.5
[M]- 247.12253 156.5
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