CID 3057529

N,n-di(2-propynyl)-alpha-methyl-m-trifluoromethylphenethylamine

Structural Information

Molecular Formula
C16H16F3N
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)N(CC#C)CC#C
InChI
InChI=1S/C16H16F3N/c1-4-9-20(10-5-2)13(3)11-14-7-6-8-15(12-14)16(17,18)19/h1-2,6-8,12-13H,9-11H2,3H3
InChIKey
HIBDKSQPHFHYPS-UHFFFAOYSA-N
Compound name
N,N-bis(prop-2-ynyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12347 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13075 166.9
[M+Na]+ 302.11269 175.3
[M-H]- 278.11619 166.4
[M+NH4]+ 297.15729 177.2
[M+K]+ 318.08663 170.3
[M+H-H2O]+ 262.12073 150.4
[M+HCOO]- 324.12167 173.2
[M+CH3COO]- 338.13732 224.9
[M+Na-2H]- 300.09814 165.4
[M]+ 279.12292 156.2
[M]- 279.12402 156.2
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

No patent data available for this compound.