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 160.5
[M+Na]+ 268.16718 163.4
[M-H]- 244.17068 164.8
[M+NH4]+ 263.21178 177.9
[M+K]+ 284.14112 158.3
[M+H-H2O]+ 228.17522 152.5
[M+HCOO]- 290.17616 175.1
[M+CH3COO]- 304.19181 169.8
[M+Na-2H]- 266.15263 161.4
[M]+ 245.17741 150.2
[M]- 245.17851 150.2
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

patents stripe