CID 68309262

1255667-06-1

Structural Information

Molecular Formula
C12H19F2NO4
SMILES
CC(C)(C)OC(=O)N1CC(CC(C1)(F)F)C(=O)OC
InChI
InChI=1S/C12H19F2NO4/c1-11(2,3)19-10(17)15-6-8(9(16)18-4)5-12(13,14)7-15/h8H,5-7H2,1-4H3
InChIKey
MCMQSTZMIVFBRA-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-methyl 5,5-difluoropiperidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
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 159.6
[M+Na]+ 302.117418 166.2
[M-H]- 278.120924 159.0
[M+NH4]+ 297.162023 176.6
[M+K]+ 318.091358 166.2
[M+H-H2O]+ 262.125460 153.0
[M+HCOO]- 324.126401 173.3
[M+CH3COO]- 338.142051 197.3
[M+Na-2H]- 300.102866 161.1
[M]+ 279.12765142 158.1
[M]- 279.12874858 158.1
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

patents stripe