CID 3040641

52742-18-4

Structural Information

Molecular Formula
C14H20F3N
SMILES
CCCCNC(C)CC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C14H20F3N/c1-3-4-8-18-11(2)9-12-6-5-7-13(10-12)14(15,16)17/h5-7,10-11,18H,3-4,8-9H2,1-2H3
InChIKey
VCYPVYLZISLFHR-UHFFFAOYSA-N
Compound name
N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

259.1548 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16208 163.5
[M+Na]+ 282.14402 171.4
[M+NH4]+ 277.18862 169.0
[M+K]+ 298.11796 165.1
[M-H]- 258.14752 161.3
[M+Na-2H]- 280.12947 167.0
[M]+ 259.15425 163.7
[M]- 259.15535 163.7
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