CID 3051534

67466-34-6

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CC1CC(C(N1)C)(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C12H16ClNO/c1-8-7-12(15,9(2)14-8)10-3-5-11(13)6-4-10/h3-6,8-9,14-15H,7H2,1-2H3
InChIKey
CVUDLJCZIANKGJ-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2,5-dimethylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09204 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09932 148.7
[M+Na]+ 248.08126 161.5
[M+NH4]+ 243.12586 158.9
[M+K]+ 264.05520 154.4
[M-H]- 224.08476 151.4
[M+Na-2H]- 246.06671 156.2
[M]+ 225.09149 151.7
[M]- 225.09259 151.7
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.