CID 165984030

Rac-(1r,5r,6s)-1-(methoxymethyl)-6-(trifluoromethyl)-3-azabicyclo[3.2.0]heptane hydrochloride

Structural Information

Molecular Formula
C9H14F3NO
SMILES
COC[C@]12C[C@@H]([C@H]1CNC2)C(F)(F)F
InChI
InChI=1S/C9H14F3NO/c1-14-5-8-2-6(9(10,11)12)7(8)3-13-4-8/h6-7,13H,2-5H2,1H3/t6-,7+,8+/m0/s1
InChIKey
PYFRELRAIMGDKW-XLPZGREQSA-N
Compound name
(1R,5R,6S)-1-(methoxymethyl)-6-(trifluoromethyl)-3-azabicyclo[3.2.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.10275 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11003 144.6
[M+Na]+ 232.09197 151.2
[M-H]- 208.09547 142.5
[M+NH4]+ 227.13657 159.9
[M+K]+ 248.06591 151.1
[M+H-H2O]+ 192.10001 133.6
[M+HCOO]- 254.10095 157.8
[M+CH3COO]- 268.11660 185.8
[M+Na-2H]- 230.07742 148.4
[M]+ 209.10220 147.6
[M]- 209.10330 147.6
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

No patent data available for this compound.