CID 66545623

N-(3-chlorophenyl)pyrrolidin-3-amine

Structural Information

Molecular Formula
C10H13ClN2
SMILES
C1CNCC1NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H13ClN2/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12-13H,4-5,7H2
InChIKey
GFHCSIJCLZAWKC-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.07672 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.083996 142.4
[M+Na]+ 219.065938 149.0
[M-H]- 195.069444 145.7
[M+NH4]+ 214.110543 161.8
[M+K]+ 235.039878 143.6
[M+H-H2O]+ 179.073980 135.7
[M+HCOO]- 241.074921 159.5
[M+CH3COO]- 255.090571 154.3
[M+Na-2H]- 217.051386 146.7
[M]+ 196.07617142 138.2
[M]- 196.07726858 138.2
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.