CID 11129200

N-boc-4,4-difluoro-l-proline methyl ester

Structural Information

Molecular Formula
C11H17F2NO4
SMILES
CC(C)(C)OC(=O)N1CC(C[C@H]1C(=O)OC)(F)F
InChI
InChI=1S/C11H17F2NO4/c1-10(2,3)18-9(16)14-6-11(12,13)5-7(14)8(15)17-4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKey
RQDZKOOUQIDZOG-ZETCQYMHSA-N
Compound name
1-O-tert-butyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

602
Patents

265.11258 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11986 154.8
[M+Na]+ 288.10180 162.6
[M-H]- 264.10530 154.6
[M+NH4]+ 283.14640 174.2
[M+K]+ 304.07574 162.6
[M+H-H2O]+ 248.10984 148.9
[M+HCOO]- 310.11078 170.9
[M+CH3COO]- 324.12643 193.8
[M+Na-2H]- 286.08725 155.7
[M]+ 265.11203 154.9
[M]- 265.11313 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe