CID 485439

Benzenemethanamine, n-butyl-3,4-dichloro-

Structural Information

Molecular Formula
C11H15Cl2N
SMILES
CCCCNCC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H15Cl2N/c1-2-3-6-14-8-9-4-5-10(12)11(13)7-9/h4-5,7,14H,2-3,6,8H2,1H3
InChIKey
YVZJVLADBODSAQ-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
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 149.9
[M+Na]+ 254.04737 158.6
[M-H]- 230.05087 152.6
[M+NH4]+ 249.09197 169.4
[M+K]+ 270.02131 152.6
[M+H-H2O]+ 214.05541 145.5
[M+HCOO]- 276.05635 165.0
[M+CH3COO]- 290.07200 192.9
[M+Na-2H]- 252.03282 154.5
[M]+ 231.05760 153.5
[M]- 231.05870 153.5
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.