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 149.4
[M+Na]+ 248.08126 158.4
[M-H]- 224.08476 152.4
[M+NH4]+ 243.12586 170.0
[M+K]+ 264.05520 152.5
[M+H-H2O]+ 208.08930 144.3
[M+HCOO]- 270.09024 163.7
[M+CH3COO]- 284.10589 182.9
[M+Na-2H]- 246.06671 151.6
[M]+ 225.09149 147.3
[M]- 225.09259 147.3
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.