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 127.4
[M+Na]+ 206.03994 137.3
[M-H]- 182.04344 127.1
[M+NH4]+ 201.08454 143.3
[M+K]+ 222.01388 134.8
[M+H-H2O]+ 166.04798 121.4
[M+HCOO]- 228.04892 145.2
[M+CH3COO]- 242.06457 183.0
[M+Na-2H]- 204.02539 132.6
[M]+ 183.05017 124.8
[M]- 183.05127 124.8
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.