CID 86775154

1704724-77-5

Structural Information

Molecular Formula
C12H19F2NO2
SMILES
CC(C)(C)OC(=O)N1CCCCC2C1C2(F)F
InChI
InChI=1S/C12H19F2NO2/c1-11(2,3)17-10(16)15-7-5-4-6-8-9(15)12(8,13)14/h8-9H,4-7H2,1-3H3
InChIKey
LQWORBKDDPYQJD-UHFFFAOYSA-N
Compound name
tert-butyl 8,8-difluoro-2-azabicyclo[5.1.0]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.13838 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14566 144.2
[M+Na]+ 270.12760 151.3
[M-H]- 246.13110 146.6
[M+NH4]+ 265.17220 157.8
[M+K]+ 286.10154 152.9
[M+H-H2O]+ 230.13564 137.8
[M+HCOO]- 292.13658 157.6
[M+CH3COO]- 306.15223 197.5
[M+Na-2H]- 268.11305 148.5
[M]+ 247.13783 142.0
[M]- 247.13893 142.0
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.