CID 200011

5489-13-4

Structural Information

Molecular Formula
C16H23NO
SMILES
C1CCC(CC1)C2CC(CN2)(C3=CC=CC=C3)O
InChI
InChI=1S/C16H23NO/c18-16(14-9-5-2-6-10-14)11-15(17-12-16)13-7-3-1-4-8-13/h2,5-6,9-10,13,15,17-18H,1,3-4,7-8,11-12H2
InChIKey
MRLHBMLNHQVJIL-UHFFFAOYSA-N
Compound name
5-cyclohexyl-3-phenylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.17796 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 161.9
[M+Na]+ 268.16718 172.5
[M+NH4]+ 263.21178 172.3
[M+K]+ 284.14112 165.0
[M-H]- 244.17068 166.6
[M+Na-2H]- 266.15263 169.9
[M]+ 245.17741 164.7
[M]- 245.17851 164.7
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.