CID 130663368

6-(trifluoromethyl)-2-azaspiro[3.3]heptane hydrochloride

Structural Information

Molecular Formula
C7H10F3N
SMILES
C1C(CC12CNC2)C(F)(F)F
InChI
InChI=1S/C7H10F3N/c8-7(9,10)5-1-6(2-5)3-11-4-6/h5,11H,1-4H2
InChIKey
ICNKWUOOTHTJOO-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-2-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

165.07654 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.083816 129.5
[M+Na]+ 188.065758 135.1
[M-H]- 164.069264 129.2
[M+NH4]+ 183.110363 137.3
[M+K]+ 204.039698 137.9
[M+H-H2O]+ 148.073800 114.8
[M+HCOO]- 210.074741 141.9
[M+CH3COO]- 224.090391 187.5
[M+Na-2H]- 186.051206 135.2
[M]+ 165.07599142 138.3
[M]- 165.07708858 138.3
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