CID 3049694

2-propyn-1-amine, n,n-bis(1-methylethyl)-3-(3-(trifluoromethyl)phenyl)-, hydrochloride

Structural Information

Molecular Formula
C16H20F3N
SMILES
CC(C)N(CC#CC1=CC(=CC=C1)C(F)(F)F)C(C)C
InChI
InChI=1S/C16H20F3N/c1-12(2)20(13(3)4)10-6-8-14-7-5-9-15(11-14)16(17,18)19/h5,7,9,11-13H,10H2,1-4H3
InChIKey
VYVNDFDURGQZDO-UHFFFAOYSA-N
Compound name
N,N-di(propan-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.1548 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16208 164.8
[M+Na]+ 306.14402 172.2
[M-H]- 282.14752 163.8
[M+NH4]+ 301.18862 179.1
[M+K]+ 322.11796 168.4
[M+H-H2O]+ 266.15206 149.9
[M+HCOO]- 328.15300 176.7
[M+CH3COO]- 342.16865 213.8
[M+Na-2H]- 304.12947 163.9
[M]+ 283.15425 156.5
[M]- 283.15535 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.