CID 3049690

2-propyn-1-amine, 3-(4-chlorophenyl)-n,n-dipropyl-, hydrochloride

Structural Information

Molecular Formula
C15H20ClN
SMILES
CCCN(CCC)CC#CC1=CC=C(C=C1)Cl
InChI
InChI=1S/C15H20ClN/c1-3-11-17(12-4-2)13-5-6-14-7-9-15(16)10-8-14/h7-10H,3-4,11-13H2,1-2H3
InChIKey
JQHCWKBZZGWSEN-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.12843 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.13571 156.7
[M+Na]+ 272.11765 169.5
[M+NH4]+ 267.16225 162.2
[M+K]+ 288.09159 157.8
[M-H]- 248.12115 152.2
[M+Na-2H]- 270.10310 160.7
[M]+ 249.12788 156.8
[M]- 249.12898 156.8
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.