CID 62604950

2-(3,4-dichlorophenyl)cyclopentan-1-amine

Structural Information

Molecular Formula
C11H13Cl2N
SMILES
C1CC(C(C1)N)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H13Cl2N/c12-9-5-4-7(6-10(9)13)8-2-1-3-11(8)14/h4-6,8,11H,1-3,14H2
InChIKey
OBOYFJCCZPJIHL-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)cyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

229.04251 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.049786 151.5
[M+Na]+ 252.031728 160.4
[M-H]- 228.035234 156.9
[M+NH4]+ 247.076333 172.3
[M+K]+ 268.005668 153.9
[M+H-H2O]+ 212.039770 146.6
[M+HCOO]- 274.040711 165.2
[M+CH3COO]- 288.056361 163.9
[M+Na-2H]- 250.017176 152.2
[M]+ 229.04196142 150.0
[M]- 229.04305858 150.0
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

patents stripe