CID 53418332

915030-04-5

Structural Information

Molecular Formula
C8H10F3N3O2
SMILES
CCOC(=O)C1=C(N(C=N1)CC(F)(F)F)N
InChI
InChI=1S/C8H10F3N3O2/c1-2-16-7(15)5-6(12)14(4-13-5)3-8(9,10)11/h4H,2-3,12H2,1H3
InChIKey
MTGXAJLRGLOVLI-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

237.07251 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.079786 146.7
[M+Na]+ 260.061728 155.9
[M-H]- 236.065234 144.0
[M+NH4]+ 255.106333 163.3
[M+K]+ 276.035668 153.9
[M+H-H2O]+ 220.069770 137.4
[M+HCOO]- 282.070711 165.0
[M+CH3COO]- 296.086361 191.5
[M+Na-2H]- 258.047176 149.0
[M]+ 237.07196142 144.3
[M]- 237.07305858 144.3
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