CID 132354043

2138564-58-4

Structural Information

Molecular Formula
C7H10F3NO
SMILES
C1[C@]2([C@@]1(CNC2)C(F)(F)F)CO
InChI
InChI=1S/C7H10F3NO/c8-7(9,10)6-1-5(6,4-12)2-11-3-6/h11-12H,1-4H2/t5-,6-/m1/s1
InChIKey
MUNTUROLVVZHBV-PHDIDXHHSA-N
Compound name
[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.07144 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.078716 133.7
[M+Na]+ 204.060658 144.0
[M-H]- 180.064164 131.6
[M+NH4]+ 199.105263 152.6
[M+K]+ 220.034598 140.7
[M+H-H2O]+ 164.068700 128.1
[M+HCOO]- 226.069641 147.3
[M+CH3COO]- 240.085291 176.5
[M+Na-2H]- 202.046106 141.0
[M]+ 181.07089142 130.0
[M]- 181.07198858 130.0
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.