CID 3072382

1-(4-chlorophenyl)pyrrolidine-2-methylamine chlorhydrate [french]

Structural Information

Molecular Formula
C11H15ClN2
SMILES
C1CC(N(C1)C2=CC=C(C=C2)Cl)CN
InChI
InChI=1S/C11H15ClN2/c12-9-3-5-10(6-4-9)14-7-1-2-11(14)8-13/h3-6,11H,1-2,7-8,13H2
InChIKey
PMBRONSPHWDNMA-UHFFFAOYSA-N
Compound name
[1-(4-chlorophenyl)pyrrolidin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

210.09238 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.099656 147.4
[M+Na]+ 233.081598 155.0
[M-H]- 209.085104 151.8
[M+NH4]+ 228.126203 167.0
[M+K]+ 249.055538 149.9
[M+H-H2O]+ 193.089640 140.5
[M+HCOO]- 255.090581 165.0
[M+CH3COO]- 269.106231 186.4
[M+Na-2H]- 231.067046 149.8
[M]+ 210.09183142 144.8
[M]- 210.09292858 144.8
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