CID 130135586

8,8-difluoro-6-azaspiro[3.4]octane hydrochloride

Structural Information

Molecular Formula
C7H11F2N
SMILES
C1CC2(C1)CNCC2(F)F
InChI
InChI=1S/C7H11F2N/c8-7(9)5-10-4-6(7)2-1-3-6/h10H,1-5H2
InChIKey
ZIJNPRJTAWFXFT-UHFFFAOYSA-N
Compound name
8,8-difluoro-6-azaspiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

147.08595 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.093226 127.8
[M+Na]+ 170.075168 134.6
[M-H]- 146.078674 128.5
[M+NH4]+ 165.119773 146.5
[M+K]+ 186.049108 134.6
[M+H-H2O]+ 130.083210 117.8
[M+HCOO]- 192.084151 144.4
[M+CH3COO]- 206.099801 173.2
[M+Na-2H]- 168.060616 133.2
[M]+ 147.08540142 128.6
[M]- 147.08649858 128.6
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