CID 20118971

N-(2,2,2-trifluoroethyl)cyclopropanamine hydrochloride

Structural Information

Molecular Formula
C5H8F3N
SMILES
C1CC1NCC(F)(F)F
InChI
InChI=1S/C5H8F3N/c6-5(7,8)3-9-4-1-2-4/h4,9H,1-3H2
InChIKey
ZANCPHXRLGTWAN-UHFFFAOYSA-N
Compound name
N-(2,2,2-trifluoroethyl)cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

139.06088 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.068156 118.7
[M+Na]+ 162.050098 127.8
[M-H]- 138.053604 119.7
[M+NH4]+ 157.094703 135.2
[M+K]+ 178.024038 125.6
[M+H-H2O]+ 122.058140 110.7
[M+HCOO]- 184.059081 139.6
[M+CH3COO]- 198.074731 178.9
[M+Na-2H]- 160.035546 126.3
[M]+ 139.06033142 115.9
[M]- 139.06142858 115.9
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