CID 124435

2269-28-5

Structural Information

Molecular Formula
C21H29NO
SMILES
C1CCC(CC1)C(C#CCN2CCCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H29NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-9,13-14,16-18H2
InChIKey
IXXCPZGOFVCPCH-UHFFFAOYSA-N
Compound name
1-cyclohexyl-1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

311.2249 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.232176 180.3
[M+Na]+ 334.214118 183.3
[M-H]- 310.217624 181.8
[M+NH4]+ 329.258723 189.9
[M+K]+ 350.188058 174.3
[M+H-H2O]+ 294.222160 165.0
[M+HCOO]- 356.223101 186.1
[M+CH3COO]- 370.238751 185.4
[M+Na-2H]- 332.199566 180.2
[M]+ 311.22435142 164.7
[M]- 311.22544858 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

literature stripe

Patent stripe

patents stripe