CID 154814221

2551120-62-6

Structural Information

Molecular Formula
C12H20FNO3
SMILES
CC(C)(C)OC(=O)N1CCCC(=O)C(CC1)F
InChI
InChI=1S/C12H20FNO3/c1-12(2,3)17-11(16)14-7-4-5-10(15)9(13)6-8-14/h9H,4-8H2,1-3H3
InChIKey
IGQDQRPAFKIGRM-UHFFFAOYSA-N
Compound name
tert-butyl 4-fluoro-5-oxoazocane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14272 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.15000 156.7
[M+Na]+ 268.13194 161.2
[M-H]- 244.13544 157.3
[M+NH4]+ 263.17654 164.3
[M+K]+ 284.10588 161.8
[M+H-H2O]+ 228.13998 152.8
[M+HCOO]- 290.14092 163.6
[M+CH3COO]- 304.15657 226.1
[M+Na-2H]- 266.11739 155.5
[M]+ 245.14217 155.5
[M]- 245.14327 155.5
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.