CID 59657925

1-(3,4-dichlorophenyl)pyrrolidin-3-amine

Structural Information

Molecular Formula
C10H12Cl2N2
SMILES
C1CN(CC1N)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H12Cl2N2/c11-9-2-1-8(5-10(9)12)14-4-3-7(13)6-14/h1-2,5,7H,3-4,6,13H2
InChIKey
JVTFJIMHNCNHEK-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

230.03775 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04503 146.9
[M+Na]+ 253.02697 160.4
[M+NH4]+ 248.07157 156.5
[M+K]+ 269.00091 154.1
[M-H]- 229.03047 150.9
[M+Na-2H]- 251.01242 154.0
[M]+ 230.03720 150.5
[M]- 230.03830 150.5
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

patents stripe