CID 3057532

74051-23-3

Structural Information

Molecular Formula
C15H20F3N
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCC=C(C)C
InChI
InChI=1S/C15H20F3N/c1-11(2)7-8-19-12(3)9-13-5-4-6-14(10-13)15(16,17)18/h4-7,10,12,19H,8-9H2,1-3H3
InChIKey
QRZZGUUNMZTINV-UHFFFAOYSA-N
Compound name
3-methyl-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

271.1548 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16208 163.1
[M+Na]+ 294.14402 168.6
[M-H]- 270.14752 162.2
[M+NH4]+ 289.18862 179.3
[M+K]+ 310.11796 164.6
[M+H-H2O]+ 254.15206 154.2
[M+HCOO]- 316.15300 180.1
[M+CH3COO]- 330.16865 203.5
[M+Na-2H]- 292.12947 164.0
[M]+ 271.15425 158.6
[M]- 271.15535 158.6
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.