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]+ 304.155476 166.3
[M+Na]+ 326.137418 173.5
[M-H]- 302.140924 167.6
[M+NH4]+ 321.182023 182.6
[M+K]+ 342.111358 173.5
[M+H-H2O]+ 286.145460 161.1
[M+HCOO]- 348.146401 181.4
[M+CH3COO]- 362.162051 202.9
[M+Na-2H]- 324.122866 166.0
[M]+ 303.14765142 169.1
[M]- 303.14874858 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.