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]+ 251.156556 147.0
[M+Na]+ 273.138498 151.3
[M-H]- 249.142004 147.2
[M+NH4]+ 268.183103 163.5
[M+K]+ 289.112438 154.8
[M+H-H2O]+ 233.146540 139.7
[M+HCOO]- 295.147481 161.3
[M+CH3COO]- 309.163131 196.0
[M+Na-2H]- 271.123946 149.2
[M]+ 250.14873142 138.8
[M]- 250.14982858 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.