CID 28901538

1258640-83-3

Structural Information

Molecular Formula
C4H6F3N
SMILES
C1[C@@H]([C@@H]1N)C(F)(F)F
InChI
InChI=1S/C4H6F3N/c5-4(6,7)2-1-3(2)8/h2-3H,1,8H2/t2-,3+/m0/s1
InChIKey
UDWSAEWNKJDWHU-STHAYSLISA-N
Compound name
(1R,2S)-2-(trifluoromethyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

125.045235 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05251 113.8
[M+Na]+ 148.03445 124.1
[M-H]- 124.03796 114.8
[M+NH4]+ 143.07906 130.9
[M+K]+ 164.00839 121.7
[M+H-H2O]+ 108.04250 106.3
[M+HCOO]- 170.04344 134.4
[M+CH3COO]- 184.05909 176.3
[M+Na-2H]- 146.01990 120.3
[M]+ 125.04469 110.1
[M]- 125.04578 110.1
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.