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 158.8
[M+Na]+ 272.11765 168.0
[M-H]- 248.12115 161.4
[M+NH4]+ 267.16225 175.6
[M+K]+ 288.09159 161.7
[M+H-H2O]+ 232.12569 146.9
[M+HCOO]- 294.12663 173.1
[M+CH3COO]- 308.14228 205.9
[M+Na-2H]- 270.10310 161.4
[M]+ 249.12788 157.2
[M]- 249.12898 157.2
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.