CID 4579806

2-(3-chlorophenyl)pyrrolidine

Structural Information

Molecular Formula
C10H12ClN
SMILES
C1CC(NC1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H12ClN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7,10,12H,2,5-6H2
InChIKey
SRTPGDGQKPCDMC-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

181.06583 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07311 138.7
[M+Na]+ 204.05505 146.2
[M-H]- 180.05855 142.1
[M+NH4]+ 199.09965 159.1
[M+K]+ 220.02899 141.0
[M+H-H2O]+ 164.06309 132.4
[M+HCOO]- 226.06403 154.8
[M+CH3COO]- 240.07968 151.3
[M+Na-2H]- 202.04050 142.5
[M]+ 181.06528 135.2
[M]- 181.06638 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe