CID 132398725

Tert-butyl 5-amino-4,4-difluoroazepane-1-carboxylate

Structural Information

Molecular Formula
C11H20F2N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(C(CC1)(F)F)N
InChI
InChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-6-4-8(14)11(12,13)5-7-15/h8H,4-7,14H2,1-3H3
InChIKey
YUTCOHXJWJSWSE-UHFFFAOYSA-N
Compound name
tert-butyl 5-amino-4,4-difluoroazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.14928 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15656 147.0
[M+Na]+ 273.13850 151.3
[M-H]- 249.14200 147.2
[M+NH4]+ 268.18310 163.5
[M+K]+ 289.11244 154.8
[M+H-H2O]+ 233.14654 139.7
[M+HCOO]- 295.14748 161.3
[M+CH3COO]- 309.16313 196.0
[M+Na-2H]- 271.12395 149.2
[M]+ 250.14873 138.8
[M]- 250.14983 138.8
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.