CID 74376166

934274-23-4

Structural Information

Molecular Formula
C12H15F3N2
SMILES
CCC1CC(C2=C(N1)C=CC(=C2)C(F)(F)F)N
InChI
InChI=1S/C12H15F3N2/c1-2-8-6-10(16)9-5-7(12(13,14)15)3-4-11(9)17-8/h3-5,8,10,17H,2,6,16H2,1H3
InChIKey
HWXJGEDTIYQFAE-UHFFFAOYSA-N
Compound name
2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

244.11873 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12601 154.0
[M+Na]+ 267.10795 161.8
[M-H]- 243.11145 151.2
[M+NH4]+ 262.15255 170.4
[M+K]+ 283.08189 156.3
[M+H-H2O]+ 227.11599 145.2
[M+HCOO]- 289.11693 167.2
[M+CH3COO]- 303.13258 194.2
[M+Na-2H]- 265.09340 157.3
[M]+ 244.11818 144.9
[M]- 244.11928 144.9
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