CID 165893640

Rac-(1r,2r)-1-(aminomethyl)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C6H8F3NO2
SMILES
C1[C@@H]([C@@]1(CN)C(=O)O)C(F)(F)F
InChI
InChI=1S/C6H8F3NO2/c7-6(8,9)3-1-5(3,2-10)4(11)12/h3H,1-2,10H2,(H,11,12)/t3-,5+/m0/s1
InChIKey
OTXPRQAYFXFMGB-WVZVXSGGSA-N
Compound name
(1S,2S)-1-(aminomethyl)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.05072 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05800 142.1
[M+Na]+ 206.03994 148.1
[M+NH4]+ 201.08454 147.8
[M+K]+ 222.01388 145.8
[M-H]- 182.04344 143.3
[M+Na-2H]- 204.02539 146.3
[M]+ 183.05017 143.8
[M]- 183.05127 143.8
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.