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

6
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 146.0
[M+Na]+ 240.09705 152.8
[M-H]- 216.10055 145.3
[M+NH4]+ 235.14165 164.1
[M+K]+ 256.07099 150.1
[M+H-H2O]+ 200.10509 137.8
[M+HCOO]- 262.10603 163.5
[M+CH3COO]- 276.12168 192.4
[M+Na-2H]- 238.08250 148.0
[M]+ 217.10728 139.8
[M]- 217.10838 139.8
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