CID 44195694

2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 150.9
[M+Na]+ 240.09705 158.8
[M+NH4]+ 235.14165 156.6
[M+K]+ 256.07099 154.1
[M-H]- 216.10055 148.4
[M+Na-2H]- 238.08250 154.4
[M]+ 217.10728 151.0
[M]- 217.10838 151.0
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