CID 57360966

1260887-81-7

Structural Information

Molecular Formula
C12H19F2NO4
SMILES
CCOC(=O)C1CN(CC1(F)F)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H19F2NO4/c1-5-18-9(16)8-6-15(7-12(8,13)14)10(17)19-11(2,3)4/h8H,5-7H2,1-4H3
InChIKey
XIHGNQZBQXAVQR-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-ethyl 4,4-difluoropyrrolidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

279.1282 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.135476 159.4
[M+Na]+ 302.117418 166.8
[M-H]- 278.120924 159.1
[M+NH4]+ 297.162023 178.3
[M+K]+ 318.091358 166.6
[M+H-H2O]+ 262.125460 153.4
[M+HCOO]- 324.126401 175.2
[M+CH3COO]- 338.142051 196.8
[M+Na-2H]- 300.102866 159.9
[M]+ 279.12765142 159.9
[M]- 279.12874858 159.9
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