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]+ 230.04979 151.5
[M+Na]+ 252.03173 160.4
[M-H]- 228.03523 156.9
[M+NH4]+ 247.07633 172.3
[M+K]+ 268.00567 153.9
[M+H-H2O]+ 212.03977 146.6
[M+HCOO]- 274.04071 165.2
[M+CH3COO]- 288.05636 163.9
[M+Na-2H]- 250.01718 152.2
[M]+ 229.04196 150.0
[M]- 229.04306 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