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]+ 182.07872 131.7
[M+Na]+ 204.06066 136.9
[M-H]- 180.06416 131.2
[M+NH4]+ 199.10526 138.7
[M+K]+ 220.03460 140.3
[M+H-H2O]+ 164.06870 116.7
[M+HCOO]- 226.06964 144.1
[M+CH3COO]- 240.08529 189.2
[M+Na-2H]- 202.04611 137.3
[M]+ 181.07089 141.6
[M]- 181.07199 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