CID 56962206

2-boc-6,6-difluoro-2-aza-spiro[3.3]heptane

Structural Information

Molecular Formula
C11H17F2NO2
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(C2)(F)F
InChI
InChI=1S/C11H17F2NO2/c1-9(2,3)16-8(15)14-6-10(7-14)4-11(12,13)5-10/h4-7H2,1-3H3
InChIKey
NABSFZFNNHRMOM-UHFFFAOYSA-N
Compound name
tert-butyl 6,6-difluoro-2-azaspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

233.12274 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13002 151.1
[M+Na]+ 256.11196 156.4
[M-H]- 232.11546 153.3
[M+NH4]+ 251.15656 158.9
[M+K]+ 272.08590 160.5
[M+H-H2O]+ 216.12000 137.9
[M+HCOO]- 278.12094 163.9
[M+CH3COO]- 292.13659 200.8
[M+Na-2H]- 254.09741 154.8
[M]+ 233.12219 165.5
[M]- 233.12329 165.5
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

patents stripe