CID 6444671

15270-45-8

Structural Information

Molecular Formula
C14H18F3N
SMILES
C/C=C/CNC(C)CC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C14H18F3N/c1-3-4-8-18-11(2)9-12-6-5-7-13(10-12)14(15,16)17/h3-7,10-11,18H,8-9H2,1-2H3/b4-3+
InChIKey
MSWGGPYUPPKTIQ-ONEGZZNKSA-N
Compound name
(E)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]but-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.13913 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14641 163.0
[M+Na]+ 280.12835 171.0
[M+NH4]+ 275.17295 168.3
[M+K]+ 296.10229 164.6
[M-H]- 256.13185 160.5
[M+Na-2H]- 278.11380 166.4
[M]+ 257.13858 163.1
[M]- 257.13968 163.1
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

No patent data available for this compound.