CID 67230220

Tert-butyl 4-fluoro-5-oxoazepane-1-carboxylate

Structural Information

Molecular Formula
C11H18FNO3
SMILES
CC(C)(C)OC(=O)N1CCC(C(=O)CC1)F
InChI
InChI=1S/C11H18FNO3/c1-11(2,3)16-10(15)13-6-4-8(12)9(14)5-7-13/h8H,4-7H2,1-3H3
InChIKey
LZHBAHCTFZSVFE-UHFFFAOYSA-N
Compound name
tert-butyl 4-fluoro-5-oxoazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

231.12708 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13436 142.4
[M+Na]+ 254.11630 146.8
[M-H]- 230.11980 144.2
[M+NH4]+ 249.16090 158.2
[M+K]+ 270.09024 150.9
[M+H-H2O]+ 214.12434 136.1
[M+HCOO]- 276.12528 157.8
[M+CH3COO]- 290.14093 190.9
[M+Na-2H]- 252.10175 144.8
[M]+ 231.12653 137.6
[M]- 231.12763 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