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

86
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 159.6
[M+Na]+ 302.11742 166.2
[M-H]- 278.12092 159.0
[M+NH4]+ 297.16202 176.6
[M+K]+ 318.09136 166.2
[M+H-H2O]+ 262.12546 153.0
[M+HCOO]- 324.12640 173.3
[M+CH3COO]- 338.14205 197.3
[M+Na-2H]- 300.10287 161.1
[M]+ 279.12765 158.1
[M]- 279.12875 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