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]+ 182.07872 133.7
[M+Na]+ 204.06066 144.0
[M-H]- 180.06416 131.6
[M+NH4]+ 199.10526 152.6
[M+K]+ 220.03460 140.7
[M+H-H2O]+ 164.06870 128.1
[M+HCOO]- 226.06964 147.3
[M+CH3COO]- 240.08529 176.5
[M+Na-2H]- 202.04611 141.0
[M]+ 181.07089 130.0
[M]- 181.07199 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.