CID 136575905

Tert-butyl 3,3-difluoro-1,5-diazocane-1-carboxylate

Structural Information

Molecular Formula
C11H20F2N2O2
SMILES
CC(C)(C)OC(=O)N1CCCNCC(C1)(F)F
InChI
InChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-6-4-5-14-7-11(12,13)8-15/h14H,4-8H2,1-3H3
InChIKey
PPFQXLCYCHSJFC-UHFFFAOYSA-N
Compound name
tert-butyl 3,3-difluoro-1,5-diazocane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.14928 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15656 160.6
[M+Na]+ 273.13850 165.0
[M-H]- 249.14200 159.4
[M+NH4]+ 268.18310 167.9
[M+K]+ 289.11244 165.2
[M+H-H2O]+ 233.14654 156.2
[M+HCOO]- 295.14748 165.6
[M+CH3COO]- 309.16313 224.9
[M+Na-2H]- 271.12395 159.5
[M]+ 250.14873 157.7
[M]- 250.14983 157.7
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.