CID 3049684

N,n-dimethyl-3-(3-(trifluoromethyl)phenyl)-2-propyn-1-amine hydrochloride

Structural Information

Molecular Formula
C12H12F3N
SMILES
CN(C)CC#CC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C12H12F3N/c1-16(2)8-4-6-10-5-3-7-11(9-10)12(13,14)15/h3,5,7,9H,8H2,1-2H3
InChIKey
XPEMCRJLWRCRAY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.09218 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09946 155.5
[M+Na]+ 250.08140 165.2
[M+NH4]+ 245.12600 158.3
[M+K]+ 266.05534 155.6
[M-H]- 226.08490 145.9
[M+Na-2H]- 248.06685 157.1
[M]+ 227.09163 153.3
[M]- 227.09273 153.3
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.