CID 137990915

7-(trifluoromethyl)-6-azaspiro[3.4]octane hydrochloride

Structural Information

Molecular Formula
C8H12F3N
SMILES
C1CC2(C1)CC(NC2)C(F)(F)F
InChI
InChI=1S/C8H12F3N/c9-8(10,11)6-4-7(5-12-6)2-1-3-7/h6,12H,1-5H2
InChIKey
PCMODEZHVIUDLX-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)-6-azaspiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.09218 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.09946 135.3
[M+Na]+ 202.08140 141.3
[M-H]- 178.08490 134.4
[M+NH4]+ 197.12600 150.9
[M+K]+ 218.05534 141.1
[M+H-H2O]+ 162.08944 123.9
[M+HCOO]- 224.09038 149.0
[M+CH3COO]- 238.10603 178.7
[M+Na-2H]- 200.06685 139.4
[M]+ 179.09163 134.3
[M]- 179.09273 134.3
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

No patent data available for this compound.