CID 145452899

Tert-butyl 4-((3,3-difluorocyclobutyl)amino)piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H24F2N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NC2CC(C2)(F)F
InChI
InChI=1S/C14H24F2N2O2/c1-13(2,3)20-12(19)18-6-4-10(5-7-18)17-11-8-14(15,16)9-11/h10-11,17H,4-9H2,1-3H3
InChIKey
OWGZQWBWFBLDIH-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(3,3-difluorocyclobutyl)amino]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.18057 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18785 170.8
[M+Na]+ 313.16979 173.6
[M-H]- 289.17329 172.3
[M+NH4]+ 308.21439 180.1
[M+K]+ 329.14373 175.0
[M+H-H2O]+ 273.17783 157.5
[M+HCOO]- 335.17877 183.1
[M+CH3COO]- 349.19442 205.6
[M+Na-2H]- 311.15524 171.1
[M]+ 290.18002 173.2
[M]- 290.18112 173.2
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.