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

3
Patents

279.1282 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13548 159.4
[M+Na]+ 302.11742 166.8
[M-H]- 278.12092 159.1
[M+NH4]+ 297.16202 178.3
[M+K]+ 318.09136 166.6
[M+H-H2O]+ 262.12546 153.4
[M+HCOO]- 324.12640 175.2
[M+CH3COO]- 338.14205 196.8
[M+Na-2H]- 300.10287 159.9
[M]+ 279.12765 159.9
[M]- 279.12875 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