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

1
Patents

210.09238 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09966 147.4
[M+Na]+ 233.08160 155.0
[M-H]- 209.08510 151.8
[M+NH4]+ 228.12620 167.0
[M+K]+ 249.05554 149.9
[M+H-H2O]+ 193.08964 140.5
[M+HCOO]- 255.09058 165.0
[M+CH3COO]- 269.10623 186.4
[M+Na-2H]- 231.06705 149.8
[M]+ 210.09183 144.8
[M]- 210.09293 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