CID 53415294

Tert-butyl 3-fluoro-4-oxoazepane-1-carboxylate

Structural Information

Molecular Formula
C11H18FNO3
SMILES
CC(C)(C)OC(=O)N1CCCC(=O)C(C1)F
InChI
InChI=1S/C11H18FNO3/c1-11(2,3)16-10(15)13-6-4-5-9(14)8(12)7-13/h8H,4-7H2,1-3H3
InChIKey
IDKJZSHWZNDJJV-UHFFFAOYSA-N
Compound name
tert-butyl 3-fluoro-4-oxoazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

231.12708 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.134356 142.4
[M+Na]+ 254.116298 146.8
[M-H]- 230.119804 144.2
[M+NH4]+ 249.160903 158.2
[M+K]+ 270.090238 150.9
[M+H-H2O]+ 214.124340 136.1
[M+HCOO]- 276.125281 157.8
[M+CH3COO]- 290.140931 190.9
[M+Na-2H]- 252.101746 144.8
[M]+ 231.12653142 137.6
[M]- 231.12762858 137.6
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