CID 122165649

1856040-75-9

Structural Information

Molecular Formula
C8H10F3NO2
SMILES
C1C2C(C2C(=O)O)CN1CC(F)(F)F
InChI
InChI=1S/C8H10F3NO2/c9-8(10,11)3-12-1-4-5(2-12)6(4)7(13)14/h4-6H,1-3H2,(H,13,14)
InChIKey
BJWIMAJEQLZSHL-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06636 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07364 139.1
[M+Na]+ 232.05558 149.4
[M-H]- 208.05908 138.1
[M+NH4]+ 227.10018 154.1
[M+K]+ 248.02952 145.0
[M+H-H2O]+ 192.06362 131.5
[M+HCOO]- 254.06456 153.7
[M+CH3COO]- 268.08021 186.6
[M+Na-2H]- 230.04103 141.7
[M]+ 209.06581 137.3
[M]- 209.06691 137.3
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.