CID 60861626

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 150.5
[M+Na]+ 253.02697 159.7
[M-H]- 229.03047 154.6
[M+NH4]+ 248.07157 169.9
[M+K]+ 269.00091 153.5
[M+H-H2O]+ 213.03501 144.5
[M+HCOO]- 275.03595 163.2
[M+CH3COO]- 289.05160 162.6
[M+Na-2H]- 251.01242 151.7
[M]+ 230.03720 149.0
[M]- 230.03830 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

No patent data available for this compound.