CID 3051548

67466-41-5

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]+ 240.114976 154.4
[M+Na]+ 262.096918 161.8
[M-H]- 238.100424 157.0
[M+NH4]+ 257.141523 174.1
[M+K]+ 278.070858 156.1
[M+H-H2O]+ 222.104960 149.1
[M+HCOO]- 284.105901 167.4
[M+CH3COO]- 298.121551 185.6
[M+Na-2H]- 260.082366 155.6
[M]+ 239.10715142 151.7
[M]- 239.10824858 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.