CID 216870

L-alpha-methyl-n-(2-propynyl)-m-trifluoromethylphenethylamine

Structural Information

Molecular Formula
C13H14F3N
SMILES
CC#CN[C@H](C)CC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C13H14F3N/c1-3-7-17-10(2)8-11-5-4-6-12(9-11)13(14,15)16/h4-6,9-10,17H,8H2,1-2H3/t10-/m1/s1
InChIKey
DFEAUNLCJKOORV-SNVBAGLBSA-N
Compound name
(2R)-N-prop-1-ynyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.10783 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11511 152.3
[M+Na]+ 264.09705 160.9
[M-H]- 240.10055 150.4
[M+NH4]+ 259.14165 167.5
[M+K]+ 280.07099 156.1
[M+H-H2O]+ 224.10509 138.0
[M+HCOO]- 286.10603 165.6
[M+CH3COO]- 300.12168 202.4
[M+Na-2H]- 262.08250 154.6
[M]+ 241.10728 142.6
[M]- 241.10838 142.6
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.