CID 42947902

[1-(3,4-dichlorophenyl)ethyl](propyl)amine hydrochloride

Structural Information

Molecular Formula
C11H15Cl2N
SMILES
CCCNC(C)C1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H15Cl2N/c1-3-6-14-8(2)9-4-5-10(12)11(13)7-9/h4-5,7-8,14H,3,6H2,1-2H3
InChIKey
RKNSOENHWVYWHQ-UHFFFAOYSA-N
Compound name
N-[1-(3,4-dichlorophenyl)ethyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

231.05815 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.06543 149.8
[M+Na]+ 254.04737 158.2
[M-H]- 230.05087 152.6
[M+NH4]+ 249.09197 169.2
[M+K]+ 270.02131 152.6
[M+H-H2O]+ 214.05541 145.6
[M+HCOO]- 276.05635 164.0
[M+CH3COO]- 290.07200 193.7
[M+Na-2H]- 252.03282 153.2
[M]+ 231.05760 152.8
[M]- 231.05870 152.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe