CID 18337166

3-(3-chlorophenyl)pyrrolidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
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

No literature data available for this compound.

Patent stripe

patents stripe