CID 105515125

1258637-94-3

Structural Information

Molecular Formula
C12H22F2N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(CN)(F)F
InChI
InChI=1S/C12H22F2N2O2/c1-11(2,3)18-10(17)16-6-4-9(5-7-16)12(13,14)8-15/h9H,4-8,15H2,1-3H3
InChIKey
JPAFVXCGQPKXSN-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-amino-1,1-difluoroethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.16495 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17223 161.9
[M+Na]+ 287.15417 166.2
[M-H]- 263.15767 160.1
[M+NH4]+ 282.19877 176.8
[M+K]+ 303.12811 164.8
[M+H-H2O]+ 247.16221 154.1
[M+HCOO]- 309.16315 174.6
[M+CH3COO]- 323.17880 197.8
[M+Na-2H]- 285.13962 163.6
[M]+ 264.16440 155.7
[M]- 264.16550 155.7
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

No patent data available for this compound.