CID 3051540

67466-37-9

Structural Information

Molecular Formula
C13H18ClNO
SMILES
CCC1C(CC(N1)C)(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C13H18ClNO/c1-3-12-13(16,8-9(2)15-12)10-4-6-11(14)7-5-10/h4-7,9,12,15-16H,3,8H2,1-2H3
InChIKey
BRDFLYCUMXXYBX-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-ethyl-5-methylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.1077 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11498 153.3
[M+Na]+ 262.09692 165.9
[M+NH4]+ 257.14152 163.3
[M+K]+ 278.07086 158.5
[M-H]- 238.10042 155.9
[M+Na-2H]- 260.08237 160.4
[M]+ 239.10715 156.2
[M]- 239.10825 156.2
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

No patent data available for this compound.