CID 165940473

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

Structural Information

Molecular Formula
C8H10F3NO2
SMILES
C1[C@@H]([C@@H]2[C@]1(CNC2)C(=O)O)C(F)(F)F
InChI
InChI=1S/C8H10F3NO2/c9-8(10,11)4-1-7(6(13)14)3-12-2-5(4)7/h4-5,12H,1-3H2,(H,13,14)/t4-,5+,7-/m0/s1
InChIKey
KXELHQCAVIUWPB-BFHQHQDPSA-N
Compound name
(1R,5R,6S)-6-(trifluoromethyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06636 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07364 144.4
[M+Na]+ 232.05558 150.7
[M-H]- 208.05908 141.1
[M+NH4]+ 227.10018 158.7
[M+K]+ 248.02952 150.5
[M+H-H2O]+ 192.06362 133.7
[M+HCOO]- 254.06456 155.7
[M+CH3COO]- 268.08021 182.3
[M+Na-2H]- 230.04103 147.1
[M]+ 209.06581 145.3
[M]- 209.06691 145.3
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.