CID 131034098

8,8-difluoro-2-azaspiro[4.5]decan-1-one

Structural Information

Molecular Formula
C9H13F2NO
SMILES
C1CC(CCC12CCNC2=O)(F)F
InChI
InChI=1S/C9H13F2NO/c10-9(11)3-1-8(2-4-9)5-6-12-7(8)13/h1-6H2,(H,12,13)
InChIKey
MQBHNOQMDYCBIK-UHFFFAOYSA-N
Compound name
8,8-difluoro-2-azaspiro[4.5]decan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

189.09653 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10381 139.6
[M+Na]+ 212.08575 146.7
[M-H]- 188.08925 139.6
[M+NH4]+ 207.13035 163.0
[M+K]+ 228.05969 143.4
[M+H-H2O]+ 172.09379 132.6
[M+HCOO]- 234.09473 154.6
[M+CH3COO]- 248.11038 176.1
[M+Na-2H]- 210.07120 143.0
[M]+ 189.09598 129.4
[M]- 189.09708 129.4
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

patents stripe