CID 21355398

3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine

Structural Information

Molecular Formula
C12H16F3N
SMILES
CC(C)CC(C1=CC(=CC=C1)C(F)(F)F)N
InChI
InChI=1S/C12H16F3N/c1-8(2)6-11(16)9-4-3-5-10(7-9)12(13,14)15/h3-5,7-8,11H,6,16H2,1-2H3
InChIKey
RCXBZUFVURRCHY-UHFFFAOYSA-N
Compound name
3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

231.12349 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13077 155.1
[M+Na]+ 254.11271 162.8
[M+NH4]+ 249.15731 160.7
[M+K]+ 270.08665 157.9
[M-H]- 230.11621 152.6
[M+Na-2H]- 252.09816 158.4
[M]+ 231.12294 155.2
[M]- 231.12404 155.2
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