CID 3051538

67466-36-8

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CCC1CC(CN1)(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C12H16ClNO/c1-2-11-7-12(15,8-14-11)9-3-5-10(13)6-4-9/h3-6,11,14-15H,2,7-8H2,1H3
InChIKey
CNFLGEWYPDNSEK-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-ethylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09204 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.099316 150.0
[M+Na]+ 248.081258 158.1
[M-H]- 224.084764 152.6
[M+NH4]+ 243.125863 170.2
[M+K]+ 264.055198 152.1
[M+H-H2O]+ 208.089300 144.5
[M+HCOO]- 270.090241 164.3
[M+CH3COO]- 284.105891 181.7
[M+Na-2H]- 246.066706 152.8
[M]+ 225.09149142 147.5
[M]- 225.09258858 147.5
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

No patent data available for this compound.