CID 129150

3-(4-chlorophenyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C10H12ClN
SMILES
C1CNCC1C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H12ClN/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-4,9,12H,5-7H2
InChIKey
MGGZDDQAOZEEDU-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

239
Patents

181.06583 Da
Monoisotopic Mass

2.3
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