CID 50988201

3-(3,4-dichlorophenyl)pentan-3-amine hydrochloride

Structural Information

Molecular Formula
C11H15Cl2N
SMILES
CCC(CC)(C1=CC(=C(C=C1)Cl)Cl)N
InChI
InChI=1S/C11H15Cl2N/c1-3-11(14,4-2)8-5-6-9(12)10(13)7-8/h5-7H,3-4,14H2,1-2H3
InChIKey
PSIHMNRHSVOAAH-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)pentan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.05815 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.06543 150.9
[M+Na]+ 254.04737 160.1
[M-H]- 230.05087 153.6
[M+NH4]+ 249.09197 170.3
[M+K]+ 270.02131 154.1
[M+H-H2O]+ 214.05541 147.1
[M+HCOO]- 276.05635 163.9
[M+CH3COO]- 290.07200 192.6
[M+Na-2H]- 252.03282 155.0
[M]+ 231.05760 153.0
[M]- 231.05870 153.0
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

No patent data available for this compound.