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

12
Patents

165.07654 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08382 129.5
[M+Na]+ 188.06576 135.1
[M-H]- 164.06926 129.2
[M+NH4]+ 183.11036 137.3
[M+K]+ 204.03970 137.9
[M+H-H2O]+ 148.07380 114.8
[M+HCOO]- 210.07474 141.9
[M+CH3COO]- 224.09039 187.5
[M+Na-2H]- 186.05121 135.2
[M]+ 165.07599 138.3
[M]- 165.07709 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