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]+ 250.216536 161.2
[M+Na]+ 272.198478 165.6
[M-H]- 248.201984 161.3
[M+NH4]+ 267.243083 175.7
[M+K]+ 288.172418 158.5
[M+H-H2O]+ 232.206520 147.8
[M+HCOO]- 294.207461 169.2
[M+CH3COO]- 308.223111 196.2
[M+Na-2H]- 270.183926 162.3
[M]+ 249.20871142 147.6
[M]- 249.20980858 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.