CID 45158911

1,1-difluoro-5-azaspiro[2.4]heptane hydrochloride

Structural Information

Molecular Formula
C6H9F2N
SMILES
C1CNCC12CC2(F)F
InChI
InChI=1S/C6H9F2N/c7-6(8)3-5(6)1-2-9-4-5/h9H,1-4H2
InChIKey
AMKKJOJODSUMDI-UHFFFAOYSA-N
Compound name
2,2-difluoro-5-azaspiro[2.4]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

133.07031 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.077586 124.2
[M+Na]+ 156.059528 134.4
[M-H]- 132.063034 125.9
[M+NH4]+ 151.104133 144.8
[M+K]+ 172.033468 132.3
[M+H-H2O]+ 116.067570 118.1
[M+HCOO]- 178.068511 142.2
[M+CH3COO]- 192.084161 137.3
[M+Na-2H]- 154.044976 130.9
[M]+ 133.06976142 120.0
[M]- 133.07085858 120.0
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

patents stripe