CID 177788443

Tert-butyl 1,1-difluoro-4-azaspiro[2.4]heptane-4-carboxylate

Structural Information

Molecular Formula
C11H17F2NO2
SMILES
CC(C)(C)OC(=O)N1CCCC12CC2(F)F
InChI
InChI=1S/C11H17F2NO2/c1-9(2,3)16-8(15)14-6-4-5-10(14)7-11(10,12)13/h4-7H2,1-3H3
InChIKey
WOILBWAXRRJPEF-UHFFFAOYSA-N
Compound name
tert-butyl 2,2-difluoro-4-azaspiro[2.4]heptane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.12274 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13002 151.3
[M+Na]+ 256.11196 161.2
[M-H]- 232.11546 154.2
[M+NH4]+ 251.15656 169.2
[M+K]+ 272.08590 159.7
[M+H-H2O]+ 216.12000 145.9
[M+HCOO]- 278.12094 167.1
[M+CH3COO]- 292.13659 190.8
[M+Na-2H]- 254.09741 155.3
[M]+ 233.12219 152.0
[M]- 233.12329 152.0
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.