CID 18464794

2-(3-(4-chlorophenyl)pyrrolidin-3-yl)ethanol

Structural Information

Molecular Formula
C12H16ClNO
SMILES
C1CNCC1(CCO)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H16ClNO/c13-11-3-1-10(2-4-11)12(6-8-15)5-7-14-9-12/h1-4,14-15H,5-9H2
InChIKey
ILTULPUUFNFODT-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

225.09204 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09932 149.9
[M+Na]+ 248.08126 161.9
[M+NH4]+ 243.12586 160.0
[M+K]+ 264.05520 154.3
[M-H]- 224.08476 152.3
[M+Na-2H]- 246.06671 157.6
[M]+ 225.09149 152.6
[M]- 225.09259 152.6
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