CID 3049696

N,n-bis(1-methylethyl)-3-(4-chlorophenyl)-2-propyn-1-amine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.12843 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.13571 160.3
[M+Na]+ 272.11765 169.0
[M-H]- 248.12115 163.1
[M+NH4]+ 267.16225 177.0
[M+K]+ 288.09159 163.6
[M+H-H2O]+ 232.12569 148.7
[M+HCOO]- 294.12663 172.9
[M+CH3COO]- 308.14228 207.4
[M+Na-2H]- 270.10310 160.6
[M]+ 249.12788 157.6
[M]- 249.12898 157.6
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.