CID 50986506

2-methyl-2-[3-(trifluoromethyl)phenyl]propan-1-amine

Structural Information

Molecular Formula
C11H14F3N
SMILES
CC(C)(CN)C1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C11H14F3N/c1-10(2,7-15)8-4-3-5-9(6-8)11(12,13)14/h3-6H,7,15H2,1-2H3
InChIKey
PPHOQALIUKTFGB-UHFFFAOYSA-N
Compound name
2-methyl-2-[3-(trifluoromethyl)phenyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

217.10783 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11511 151.6
[M+Na]+ 240.09705 159.9
[M+NH4]+ 235.14165 157.4
[M+K]+ 256.07099 154.8
[M-H]- 216.10055 149.0
[M+Na-2H]- 238.08250 155.7
[M]+ 217.10728 151.9
[M]- 217.10838 151.9
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