CID 3051548

3-(p-chlorophenyl)-5-isopropyl-3-pyrrolidinol hydrochloride

Structural Information

Molecular Formula
C13H18ClNO
SMILES
CC(C)C1CC(CN1)(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C13H18ClNO/c1-9(2)12-7-13(16,8-15-12)10-3-5-11(14)6-4-10/h3-6,9,12,15-16H,7-8H2,1-2H3
InChIKey
OMSZQIFMUNCCNB-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-propan-2-ylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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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 153.8
[M+Na]+ 262.09692 165.6
[M+NH4]+ 257.14152 163.7
[M+K]+ 278.07086 158.9
[M-H]- 238.10042 156.1
[M+Na-2H]- 260.08237 160.8
[M]+ 239.10715 156.5
[M]- 239.10825 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.