CID 105533267

Rac-(1r,2r)-2-methyl-2-(trifluoromethyl)cyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H8F3N
SMILES
C[C@@]1(C[C@@H]1N)C(F)(F)F
InChI
InChI=1S/C5H8F3N/c1-4(2-3(4)9)5(6,7)8/h3H,2,9H2,1H3/t3-,4-/m0/s1
InChIKey
YXIUDBKOWARQFR-IMJSIDKUSA-N
Compound name
(1S,2S)-2-methyl-2-(trifluoromethyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.06088 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.06816 118.3
[M+Na]+ 162.05010 129.0
[M-H]- 138.05360 119.6
[M+NH4]+ 157.09470 136.9
[M+K]+ 178.02404 127.3
[M+H-H2O]+ 122.05814 112.1
[M+HCOO]- 184.05908 138.3
[M+CH3COO]- 198.07473 178.8
[M+Na-2H]- 160.03555 125.5
[M]+ 139.06033 115.4
[M]- 139.06143 115.4
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.