CID 121604778

1993316-07-6

Structural Information

Molecular Formula
C8H10F3NO2
SMILES
COC(=O)[C@]12C[C@]1(CNC2)C(F)(F)F
InChI
InChI=1S/C8H10F3NO2/c1-14-5(13)6-2-7(6,4-12-3-6)8(9,10)11/h12H,2-4H2,1H3/t6-,7-/m1/s1
InChIKey
PPOXZLTZRVMKMS-RNFRBKRXSA-N
Compound name
methyl (1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06636 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07364 141.4
[M+Na]+ 232.05558 151.6
[M-H]- 208.05908 140.4
[M+NH4]+ 227.10018 159.7
[M+K]+ 248.02952 149.2
[M+H-H2O]+ 192.06362 135.6
[M+HCOO]- 254.06456 155.4
[M+CH3COO]- 268.08021 183.1
[M+Na-2H]- 230.04103 147.5
[M]+ 209.06581 139.8
[M]- 209.06691 139.8
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.