CID 58367429

1-(2,2,2-trifluoroethyl)-1h-imidazol-4-amine hydrochloride

Structural Information

Molecular Formula
C5H6F3N3
SMILES
C1=C(N=CN1CC(F)(F)F)N
InChI
InChI=1S/C5H6F3N3/c6-5(7,8)2-11-1-4(9)10-3-11/h1,3H,2,9H2
InChIKey
YGTJGXAKDLLYQV-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)imidazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

165.05138 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.058656 127.8
[M+Na]+ 188.040598 137.5
[M-H]- 164.044104 124.9
[M+NH4]+ 183.085203 147.2
[M+K]+ 204.014538 135.3
[M+H-H2O]+ 148.048640 118.8
[M+HCOO]- 210.049581 147.4
[M+CH3COO]- 224.065231 177.9
[M+Na-2H]- 186.026046 133.3
[M]+ 165.05083142 122.5
[M]- 165.05192858 122.5
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