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]+ 231.045026 150.5
[M+Na]+ 253.026968 159.7
[M-H]- 229.030474 154.6
[M+NH4]+ 248.071573 169.9
[M+K]+ 269.000908 153.5
[M+H-H2O]+ 213.035010 144.5
[M+HCOO]- 275.035951 163.2
[M+CH3COO]- 289.051601 162.6
[M+Na-2H]- 251.012416 151.7
[M]+ 230.03720142 149.0
[M]- 230.03829858 149.0
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