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

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 154.4
[M+Na]+ 262.09692 161.8
[M-H]- 238.10042 157.0
[M+NH4]+ 257.14152 174.1
[M+K]+ 278.07086 156.1
[M+H-H2O]+ 222.10496 149.1
[M+HCOO]- 284.10590 167.4
[M+CH3COO]- 298.12155 185.6
[M+Na-2H]- 260.08237 155.6
[M]+ 239.10715 151.7
[M]- 239.10825 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.