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]+ 312.23218 180.3
[M+Na]+ 334.21412 183.3
[M-H]- 310.21762 181.8
[M+NH4]+ 329.25872 189.9
[M+K]+ 350.18806 174.3
[M+H-H2O]+ 294.22216 165.0
[M+HCOO]- 356.22310 186.1
[M+CH3COO]- 370.23875 185.4
[M+Na-2H]- 332.19957 180.2
[M]+ 311.22435 164.7
[M]- 311.22545 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.