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]+ 250.135706 158.8
[M+Na]+ 272.117648 168.0
[M-H]- 248.121154 161.4
[M+NH4]+ 267.162253 175.6
[M+K]+ 288.091588 161.7
[M+H-H2O]+ 232.125690 146.9
[M+HCOO]- 294.126631 173.1
[M+CH3COO]- 308.142281 205.9
[M+Na-2H]- 270.103096 161.4
[M]+ 249.12788142 157.2
[M]- 249.12897858 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.