CID 62677552

1-(2,2,2-trifluoroethyl)cyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H8F3N
SMILES
C1CC1(CC(F)(F)F)N
InChI
InChI=1S/C5H8F3N/c6-5(7,8)3-4(9)1-2-4/h1-3,9H2
InChIKey
LAIOOOKWZHMCFM-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

139.06088 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.06816 119.0
[M+Na]+ 162.05010 128.8
[M-H]- 138.05360 119.9
[M+NH4]+ 157.09470 137.2
[M+K]+ 178.02404 127.2
[M+H-H2O]+ 122.05814 112.5
[M+HCOO]- 184.05908 139.0
[M+CH3COO]- 198.07473 177.8
[M+Na-2H]- 160.03555 126.8
[M]+ 139.06033 115.7
[M]- 139.06143 115.7
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

patents stripe