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

245
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 154.3
[M+Na]+ 270.11120 161.2
[M-H]- 246.11470 155.3
[M+NH4]+ 265.15580 172.5
[M+K]+ 286.08514 161.3
[M+H-H2O]+ 230.11924 148.2
[M+HCOO]- 292.12018 171.5
[M+CH3COO]- 306.13583 191.6
[M+Na-2H]- 268.09665 154.2
[M]+ 247.12143 155.3
[M]- 247.12253 155.3
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