CID 40728

Alpha-(5-(1-piperidinyl)-1-pentynyl)benzyl alcohol hydrochloride

Structural Information

Molecular Formula
C17H23NO
SMILES
C1CCN(CC1)CCCC#CC(C2=CC=CC=C2)O
InChI
InChI=1S/C17H23NO/c19-17(16-10-4-1-5-11-16)12-6-2-7-13-18-14-8-3-9-15-18/h1,4-5,10-11,17,19H,2-3,7-9,13-15H2
InChIKey
AULGTZLGNBMTDY-UHFFFAOYSA-N
Compound name
1-phenyl-6-piperidin-1-ylhex-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.17798 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18526 163.2
[M+Na]+ 280.16720 168.4
[M-H]- 256.17070 163.3
[M+NH4]+ 275.21180 175.5
[M+K]+ 296.14114 161.4
[M+H-H2O]+ 240.17524 148.9
[M+HCOO]- 302.17618 173.6
[M+CH3COO]- 316.19183 199.0
[M+Na-2H]- 278.15265 164.2
[M]+ 257.17743 152.6
[M]- 257.17853 152.6
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.