CID 124249425

3,3-difluoro-1-azaspiro[3.3]heptane hydrochloride

Structural Information

Molecular Formula
C6H9F2N
SMILES
C1CC2(C1)C(CN2)(F)F
InChI
InChI=1S/C6H9F2N/c7-6(8)4-9-5(6)2-1-3-5/h9H,1-4H2
InChIKey
VQOUILNLTVGBII-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.07031 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07759 122.8
[M+Na]+ 156.05953 129.1
[M-H]- 132.06303 124.1
[M+NH4]+ 151.10413 133.5
[M+K]+ 172.03347 132.1
[M+H-H2O]+ 116.06757 110.0
[M+HCOO]- 178.06851 137.9
[M+CH3COO]- 192.08416 182.5
[M+Na-2H]- 154.04498 129.8
[M]+ 133.06976 133.2
[M]- 133.07086 133.2
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.