CID 24274047

1017479-85-4

Structural Information

Molecular Formula
C12H15Cl2N
SMILES
C1CCC(C1)(CN)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H15Cl2N/c13-9-3-4-10(11(14)7-9)12(8-15)5-1-2-6-12/h3-4,7H,1-2,5-6,8,15H2
InChIKey
SCKARNZUKPSNSL-UHFFFAOYSA-N
Compound name
[1-(2,4-dichlorophenyl)cyclopentyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.05815 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06543 154.5
[M+Na]+ 266.04737 163.0
[M-H]- 242.05087 159.8
[M+NH4]+ 261.09197 176.4
[M+K]+ 282.02131 156.3
[M+H-H2O]+ 226.05541 149.9
[M+HCOO]- 288.05635 168.1
[M+CH3COO]- 302.07200 166.7
[M+Na-2H]- 264.03282 156.6
[M]+ 243.05760 153.1
[M]- 243.05870 153.1
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.