CID 155977925

1,2-di-tert-butyl (2s,4r)-4-fluoro-5-oxopyrrolidine-1,2-dicarboxylate

Structural Information

Molecular Formula
C14H22FNO5
SMILES
CC(C)(C)OC(=O)[C@@H]1C[C@H](C(=O)N1C(=O)OC(C)(C)C)F
InChI
InChI=1S/C14H22FNO5/c1-13(2,3)20-11(18)9-7-8(15)10(17)16(9)12(19)21-14(4,5)6/h8-9H,7H2,1-6H3/t8-,9+/m1/s1
InChIKey
ZPBXGONAMUFGQV-BDAKNGLRSA-N
Compound name
ditert-butyl (2S,4R)-4-fluoro-5-oxopyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1482 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15548 166.3
[M+Na]+ 326.13742 173.5
[M-H]- 302.14092 167.6
[M+NH4]+ 321.18202 182.6
[M+K]+ 342.11136 173.5
[M+H-H2O]+ 286.14546 161.1
[M+HCOO]- 348.14640 181.4
[M+CH3COO]- 362.16205 202.9
[M+Na-2H]- 324.12287 166.0
[M]+ 303.14765 169.1
[M]- 303.14875 169.1
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

No patent data available for this compound.