CID 3041025

Cyclohexanol, 1-(5-(1-piperidinyl)-1-pentynyl)-, hydrochloride

Structural Information

Molecular Formula
C16H27NO
SMILES
C1CCC(CC1)(C#CCCCN2CCCCC2)O
InChI
InChI=1S/C16H27NO/c18-16(10-4-1-5-11-16)12-6-2-7-13-17-14-8-3-9-15-17/h18H,1-5,7-11,13-15H2
InChIKey
YNPDDSIXGQOCKO-UHFFFAOYSA-N
Compound name
1-(5-piperidin-1-ylpent-1-ynyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.20926 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.21654 161.2
[M+Na]+ 272.19848 165.6
[M-H]- 248.20198 161.3
[M+NH4]+ 267.24308 175.7
[M+K]+ 288.17242 158.5
[M+H-H2O]+ 232.20652 147.8
[M+HCOO]- 294.20746 169.2
[M+CH3COO]- 308.22311 196.2
[M+Na-2H]- 270.18393 162.3
[M]+ 249.20871 147.6
[M]- 249.20981 147.6
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.