CID 165941182

Tert-butyl 1-(difluoromethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate

Structural Information

Molecular Formula
C11H17F2NO2
SMILES
CC(C)(C)OC(=O)N1CC2CC1(C2)C(F)F
InChI
InChI=1S/C11H17F2NO2/c1-10(2,3)16-9(15)14-6-7-4-11(14,5-7)8(12)13/h7-8H,4-6H2,1-3H3
InChIKey
METCTWKYNAZCHX-UHFFFAOYSA-N
Compound name
tert-butyl 1-(difluoromethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.12274 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13002 165.7
[M+Na]+ 256.11196 171.4
[M-H]- 232.11546 163.1
[M+NH4]+ 251.15656 185.0
[M+K]+ 272.08590 172.8
[M+H-H2O]+ 216.12000 157.5
[M+HCOO]- 278.12094 176.9
[M+CH3COO]- 292.13659 195.5
[M+Na-2H]- 254.09741 168.7
[M]+ 233.12219 177.1
[M]- 233.12329 177.1
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.