CID 124171117

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

Structural Information

Molecular Formula
C7H10F3NO
SMILES
C1C(CC12CNC2)OC(F)(F)F
InChI
InChI=1S/C7H10F3NO/c8-7(9,10)12-5-1-6(2-5)3-11-4-6/h5,11H,1-4H2
InChIKey
IEIFZBIVJQRBAL-UHFFFAOYSA-N
Compound name
6-(trifluoromethoxy)-2-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

181.07144 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.078716 131.7
[M+Na]+ 204.060658 136.9
[M-H]- 180.064164 131.2
[M+NH4]+ 199.105263 138.7
[M+K]+ 220.034598 140.3
[M+H-H2O]+ 164.068700 116.7
[M+HCOO]- 226.069641 144.1
[M+CH3COO]- 240.085291 189.2
[M+Na-2H]- 202.046106 137.3
[M]+ 181.07089142 141.6
[M]- 181.07198858 141.6
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