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]+ 232.065426 149.8
[M+Na]+ 254.047368 158.2
[M-H]- 230.050874 152.6
[M+NH4]+ 249.091973 169.2
[M+K]+ 270.021308 152.6
[M+H-H2O]+ 214.055410 145.6
[M+HCOO]- 276.056351 164.0
[M+CH3COO]- 290.072001 193.7
[M+Na-2H]- 252.032816 153.2
[M]+ 231.05760142 152.8
[M]- 231.05869858 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