CID 86775146

1704724-76-4

Structural Information

Molecular Formula
C11H17F2NO2
SMILES
CC(C)(C)OC(=O)N1CCCC2C1C2(F)F
InChI
InChI=1S/C11H17F2NO2/c1-10(2,3)16-9(15)14-6-4-5-7-8(14)11(7,12)13/h7-8H,4-6H2,1-3H3
InChIKey
HDWQLYOAWXSNNF-UHFFFAOYSA-N
Compound name
tert-butyl 7,7-difluoro-2-azabicyclo[4.1.0]heptane-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 154.0
[M+Na]+ 256.11196 163.6
[M-H]- 232.11546 155.3
[M+NH4]+ 251.15656 169.2
[M+K]+ 272.08590 161.2
[M+H-H2O]+ 216.12000 147.2
[M+HCOO]- 278.12094 167.9
[M+CH3COO]- 292.13659 193.6
[M+Na-2H]- 254.09741 158.1
[M]+ 233.12219 154.4
[M]- 233.12329 154.4
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.